Using device 1 (rank 1, local rank 1, local size 2) : Tesla V100-PCIE-16GB
Using device 0 (rank 0, local rank 0, local size 2) : Tesla V100-PCIE-16GB
running on 2 total cores
distrk: each k-point on 2 cores, 1 groups
distr: one band on 1 cores, 2 groups
*******************************************************************************
You are running the GPU port of VASP! When publishing results obtained with
this version, please cite:
- M. Hacene et al., http://dx.doi.org/10.1002/jcc.23096
- M. Hutchinson and M. Widom, http://dx.doi.org/10.1016/j.cpc.2012.02.017
in addition to the usual required citations (see manual).
GPU developers: A. Anciaux-Sedrakian, C. Angerer, and M. Hutchinson.
*******************************************************************************
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| Please note that VASP has recently been ported to GPU by means of |
| OpenACC. You are running the CUDA-C GPU-port of VASP, which is |
| deprecated and no longer actively developed, maintained, or |
| supported. In the near future, the CUDA-C GPU-port of VASP will be |
| dropped completely. We encourage you to switch to the OpenACC |
| GPU-port of VASP as soon as possible. |
| |
-----------------------------------------------------------------------------
vasp.6.2.1 16May21 (build Apr 11 2022 11:03:26) complex
MD_VERSION_INFO: Compiled 2022-04-11T18:25:55-UTC in devlin.sd.materialsdesign.
com:/home/medea2/data/build/vasp6.2.1/16685/x86_64/src/src/build/gpu from svn 1
6685
This VASP executable licensed from Materials Design, Inc.
POSCAR found type information on POSCAR SiO C H
POSCAR found : 4 types and 20 ions
NWRITE = 1
NWRITE = 1
LDA part: xc-table for Pade appr. of Perdew
WARNING: The GPU port of VASP has been extensively
tested for: ALGO=Normal, Fast, and VeryFast.
Other algorithms may produce incorrect results or
yield suboptimal performance. Handle with care!
POSCAR, INCAR and KPOINTS ok, starting setup
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 80 x 80 x 98...
creating 32 CUFFT plans with grid size 80 x 80 x 98...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.374965973587E+03 0.37497E+03 -0.92814E+03 84 0.580E+02
DAV: 2 0.889182295984E+02 -0.28605E+03 -0.27067E+03 112 0.126E+02
DAV: 3 -0.865279783306E+02 -0.17545E+03 -0.17354E+03 96 0.104E+02
DAV: 4 -0.113003271795E+03 -0.26475E+02 -0.26407E+02 88 0.536E+01
DAV: 5 -0.113721238787E+03 -0.71797E+00 -0.71759E+00 88 0.990E+00 0.193E+01
DAV: 6 -0.103337672779E+03 0.10384E+02 -0.24969E+01 94 0.198E+01 0.940E+00
DAV: 7 -0.101799603305E+03 0.15381E+01 -0.43509E+00 94 0.725E+00 0.453E+00
DAV: 8 -0.101362176351E+03 0.43743E+00 -0.55668E-01 88 0.347E+00 0.109E+00
DAV: 9 -0.101264712046E+03 0.97464E-01 -0.94848E-02 104 0.141E+00 0.486E-01
DAV: 10 -0.101368672290E+03 -0.10396E+00 -0.13454E+00 88 0.890E-01 0.612E+00
DAV: 11 -0.101222249738E+03 0.14642E+00 -0.45430E-01 88 0.707E-01 0.199E+00
DAV: 12 -0.101231316095E+03 -0.90664E-02 -0.15185E-02 80 0.737E-01 0.777E-01
DAV: 13 -0.101241685606E+03 -0.10370E-01 -0.15038E-02 96 0.740E-01 0.118E+00
DAV: 14 -0.101238409986E+03 0.32756E-02 -0.49007E-03 96 0.318E-01 0.387E-01
DAV: 15 -0.101244385925E+03 -0.59759E-02 -0.35092E-03 80 0.295E-01 0.381E-01
DAV: 16 -0.101245970721E+03 -0.15848E-02 -0.16548E-03 88 0.215E-01 0.208E-01
DAV: 17 -0.101251736402E+03 -0.57657E-02 -0.11619E-03 68 0.152E-01 0.136E-01
DAV: 18 -0.101255817788E+03 -0.40814E-02 -0.69025E-04 84 0.117E-01 0.646E-02
DAV: 19 -0.101259104333E+03 -0.32865E-02 -0.29166E-04 80 0.718E-02 0.428E-02
DAV: 20 -0.101260929017E+03 -0.18247E-02 -0.13345E-04 88 0.474E-02 0.584E-02
DAV: 21 -0.101262285114E+03 -0.13561E-02 -0.13959E-04 72 0.468E-02 0.193E-02
DAV: 22 -0.101262790361E+03 -0.50525E-03 -0.44393E-05 80 0.291E-02 0.123E-02
DAV: 23 -0.101263142597E+03 -0.35224E-03 -0.25662E-05 56 0.188E-02 0.241E-02
DAV: 24 -0.101263262256E+03 -0.11966E-03 -0.13131E-05 72 0.168E-02 0.115E-02
DAV: 25 -0.101263341078E+03 -0.78822E-04 -0.37677E-06 72 0.786E-03 0.598E-03
DAV: 26 -0.101271711901E+03 -0.83708E-02 -0.83381E-02 88 0.597E-03 0.472E-02
DAV: 27 -0.101292740678E+03 -0.21029E-01 -0.21045E-01 120 0.436E-01 0.170E-01
DAV: 28 -0.101292463747E+03 0.27693E-03 0.73467E-02 88 0.194E+00 0.371E-02
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.405389088037121E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.340157506373860E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.504699474559114E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.750926732219560E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.405389088037121E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.340157506373860E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.504699474559114E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.750926732219560E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.503783070293733E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
2.607595978872318E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.708504602600658E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.753579957683442E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
2.768070274858607E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.816253970890427E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.390707439327325E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.503783070293733E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
2.607595978872318E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.708504602600658E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.753579957683442E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
2.768070274858607E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.816253970890427E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.390707439327325E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.055445933139792E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
6.914738097457984E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.460045838719283E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
7.416468088799258E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.546010791377692E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
7.453030967011462E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.055445933139792E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
6.914738097457984E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.460045838719283E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
7.416468088799258E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.546010791377692E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
7.453030967011462E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.182885816047932E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.453448934796194E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.640435474205023E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.486335813052618E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.246555542544195E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.824204071756847E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.182885816047932E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.453448934796194E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.640435474205023E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.486335813052618E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.246555542544195E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.824204071756847E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.889503319573606E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.395407529770380E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.335117350120437E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.287301046494932E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.889503319573606E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.395407529770380E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.335117350120437E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.287301046494932E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.033415050587846E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-8.559139195233794E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-9.343865992894649E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.033415050587846E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-8.559139195233794E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-9.343865992894649E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.222188541774742E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-9.942805144592013E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.222188541774742E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-9.942805144592013E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.553023343799183E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.736197223915537E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.553023343799183E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.736197223915537E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.429848481291669E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.018125231537941E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.429848481291669E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.018125231537941E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.827575390066203E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.467540226633656E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.827575390066203E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.467540226633656E-004
DAV: 29 -0.153970951779E+05 -0.15296E+05 -0.15286E+05 136 0.328E-01BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.00000 new 44.99726
0.934E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.223824515406184E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-4.991506846724443E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-2.356008671768452E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.151114686248045
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.033789570812875E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.305084085860043E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-7.210459328256477E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.509378751490594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.223824515406184E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-4.991506846724443E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-2.356008671768452E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.151114686248045
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.033789570812875E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.305084085860043E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-7.210459328256477E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.509378751490594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.047958770388734E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
2.034152095860129E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.201824899029279E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-9.704171053926633E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-7.495212841368487E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.895347706766065E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.717237263746244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.860169691200998E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.047958770388734E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
2.034152095860129E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.201824899029279E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-9.704171053926633E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-7.495212841368487E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.895347706766065E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.717237263746244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.860169691200998E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.737272524262485E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.939004234354792E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.540420971238677E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.805979434956073E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.939969316138356E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.259023490927191E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.237768614176009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.085019391577024E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.737272524262485E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.939004234354792E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.540420971238677E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.805979434956073E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.939969316138356E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.259023490927191E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.237768614176009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.085019391577024E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.099776219442591E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.384131355581645E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.454507564340186E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.099776219442591E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.384131355581645E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.454507564340186E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.101066618126431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.974120056557489E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.355716378402316E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.928424189026829E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.922632219822769E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.075302008365371E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.248160316851212E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.215654818599646E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.101066618126431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.974120056557489E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.355716378402316E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.928424189026829E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.922632219822769E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.075302008365371E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.248160316851212E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.215654818599646E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.232154497393749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.605168074569013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.750923139956431E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
2.385377635335761E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.148521740444632E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.719890347996694E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
9.025158222086639E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.720706506658507E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.232154497393749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.605168074569013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.750923139956431E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
2.385377635335761E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.148521740444632E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.719890347996694E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
9.025158222086639E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.720706506658507E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.712346659112545E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.734094858232831E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.208863836447042E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.762244616153815E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.827469438338364E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.712346659112545E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.734094858232831E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.208863836447042E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.762244616153815E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.827469438338364E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.244158836210333E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.108843081587619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.025967243690381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.215419648049877E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.474589885981699E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.769195281389374E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.310036341163858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.256757366976689E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.244158836210333E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.108843081587619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.025967243690381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.215419648049877E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.474589885981699E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.769195281389374E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.310036341163858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.256757366976689E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.790271214191752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.740044655762891E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-5.874592139122850E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.461079196314568E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.709164508158528E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.517081367205292E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.150243865514552E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.121278485247867E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.790271214191752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.740044655762891E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-5.874592139122850E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.461079196314568E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.709164508158528E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.517081367205292E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.150243865514552E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.121278485247867E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.190256693692542E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.015768009647957E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.276109867486008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.723060791901805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.030772568981001E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.395224381326951E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
8.095965616359015E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.292621227560940E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.190256693692542E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.015768009647957E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.276109867486008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.723060791901805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.030772568981001E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.395224381326951E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
8.095965616359015E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.292621227560940E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.406323866330142E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.108230408741661
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.920004308166822E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.570204963196181E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
2.527347175060660E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.892287826413397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.020307328535903E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.114888268285228E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.406323866330142E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.108230408741661
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.920004308166822E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.570204963196181E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
2.527347175060660E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.892287826413397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.020307328535903E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.114888268285228E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.758068777996404E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.597699803325196E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.230377675220318E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.255667992528240E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.859783382824483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
7.072056573184997E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.145678279379781E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.804936578166624E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.758068777996404E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.597699803325196E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.230377675220318E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.255667992528240E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.859783382824483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
7.072056573184997E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.145678279379781E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.804936578166624E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.990798348550050E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.588868663874453E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.990798348550050E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.588868663874453E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.872942077649596E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.318175914338121E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.872942077649596E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.318175914338121E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.823637919744024E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.314835235864330E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.823637919744024E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.314835235864330E-004
DAV: 30 -0.721044143486E+02 0.15325E+05 -0.55593E+03 68 0.363E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 44.99726 new 45.06603
0.168E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.299750866983074E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.461378867717614E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.314606647059565E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.299750866983074E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.461378867717614E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.314606647059565E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.857256440424354E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.635607905323490E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.268600600085648E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
5.597652199589783E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
2.321700755845445E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
8.779899153424333E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.924559455474311E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.466843589893553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.857256440424354E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.635607905323490E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.268600600085648E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
5.597652199589783E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
2.321700755845445E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
8.779899153424333E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.924559455474311E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.466843589893553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-6.251803955473883E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.148209868339676E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.885896757076052E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-5.853965077121282E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.806471875090475E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.461486806413871E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.253036892671212E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.754406356232260E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-6.251803955473883E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.148209868339676E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.885896757076052E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-5.853965077121282E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.806471875090475E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.461486806413871E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.253036892671212E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.754406356232260E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.173698230588682E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.599710285246641E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.883091135787481E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.786542197838280E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.339198222578054E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.240391518731312E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.690694922118443E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.118688972786592E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.173698230588682E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.599710285246641E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.883091135787481E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.786542197838280E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.339198222578054E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.240391518731312E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.690694922118443E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.118688972786592E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.705574133851547E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.925768795042827E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-6.675612518061055E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.409051931555698E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.572384301506211E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.575824590203143E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.235992730518233E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.021476641185435E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.705574133851547E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.925768795042827E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-6.675612518061055E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.409051931555698E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.572384301506211E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.575824590203143E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.235992730518233E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.021476641185435E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.880926381431408E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.129743612618887E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.226766135183336E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.519473460760540E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.469151412516377E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.714021038283525E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.820422246614795E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.880926381431408E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.129743612618887E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.226766135183336E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.519473460760540E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.469151412516377E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.714021038283525E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.820422246614795E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.310861406786773E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.673138364921673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.473841645305471E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.335040758368774E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.311417183513968E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.255993445721794E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.026953315777673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.731451382996161E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.310861406786773E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.673138364921673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.473841645305471E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.335040758368774E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.311417183513968E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.255993445721794E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.026953315777673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.731451382996161E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.154186997651624E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.545763184525453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.086493207835122E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.356926228533839E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.294117102275724E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.127351655513048E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.512497500611668E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.154186997651624E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.545763184525453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.086493207835122E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.356926228533839E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.294117102275724E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.127351655513048E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.512497500611668E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.402211609479881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.830374878118981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.634989474486801E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.216519994626306E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.824803207945299E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.889143307795110E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-6.856708462735497E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.402211609479881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.830374878118981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.634989474486801E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.216519994626306E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.824803207945299E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.889143307795110E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-6.856708462735497E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.561823824039563E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.359790404998909E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.455219908920010E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.640589123260709E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.937751367730132E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.361776359471079E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.969705924061136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.968620659036382E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.561823824039563E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.359790404998909E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.455219908920010E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.640589123260709E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.937751367730132E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.361776359471079E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.969705924061136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.968620659036382E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.048424360000842E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.817330534347160E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.907380784459763E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
5.753913735437993E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.210364563388140E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.558049641550602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.156530191897441E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.895100578906532E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.048424360000842E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.817330534347160E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.907380784459763E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
5.753913735437993E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.210364563388140E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.558049641550602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.156530191897441E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.895100578906532E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.012504829934090E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.047685503994793E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
8.014806934651768E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.341027717216628E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.230614087242266E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.851398138267416E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-7.258603596887820E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.012504829934090E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.047685503994793E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
8.014806934651768E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.341027717216628E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.230614087242266E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.851398138267416E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-7.258603596887820E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.633394780095240E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.795623620672566E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.607207621062444E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.420882917767036E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.451106644174277E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.565577395303083E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.598756352126949E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.633394780095240E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.795623620672566E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.607207621062444E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.420882917767036E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.451106644174277E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.565577395303083E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.598756352126949E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.355733193612195E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.632535378598725E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.008531819634414E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
5.374825862485258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.629561881128417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.360620400045292E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.504197785395747E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
9.628394892158610E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.355733193612195E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.632535378598725E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.008531819634414E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
5.374825862485258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.629561881128417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.360620400045292E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.504197785395747E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
9.628394892158610E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.301485696911993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.648393358815266E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.158517615620343E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.526281271287654E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.750055875034566E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.563402716679627E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.214753422180222E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.452022503982721E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.301485696911993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.648393358815266E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.158517615620343E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.526281271287654E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.750055875034566E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.563402716679627E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.214753422180222E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.452022503982721E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.985422378298151E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.620993009994279E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.878394744255572E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.845891683824065E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.201734943876863E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.427498892090277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.785508318010114E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.887314067596142E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.985422378298151E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.620993009994279E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.878394744255572E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.845891683824065E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.201734943876863E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.427498892090277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.785508318010114E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.887314067596142E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.150178068736993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.445885744710750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.994882211738296E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.830974798393297E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.359734807827560E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.614520214818444E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.996438482919388E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.150178068736993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.445885744710750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.994882211738296E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.830974798393297E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.359734807827560E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.614520214818444E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.996438482919388E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.244355619467326E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
9.821103981986082E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.295429215523129E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.499956387970705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.595973608842655E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.808159890405413E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.504278045564995E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.208617978455064E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.244355619467326E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
9.821103981986082E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.295429215523129E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.499956387970705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.595973608842655E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.808159890405413E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.504278045564995E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.208617978455064E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.227980654358203E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.017192617417889E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.227980654358203E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.017192617417889E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.113986865654180E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
9.483604325400644E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.113986865654180E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
9.483604325400644E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.419071041769280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.114408705555362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.419071041769280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.114408705555362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.106843279995203E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.663037322650082E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.106843279995203E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.663037322650082E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.918587833682394E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.648503160718187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.918587833682394E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.648503160718187E-002
DAV: 31 -0.171671244342E+05 -0.17095E+05 -0.17080E+05 120 0.511E+01BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.06603 new 45.28490
0.161E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.210637375908553
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.293033985930808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.177371293573143
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.435967613979169
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.256618689421960
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.816034874328439
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.106485393807084
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.273239834686670
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.210637375908553
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.293033985930808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.177371293573143
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.435967613979169
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.256618689421960
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.816034874328439
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.106485393807084
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.273239834686670
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.132667575603800
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.943580499546844E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.578026709258337
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.317424971016162
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.671906300272895E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.421681145413600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.155213599363108
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.174913785193623
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.132667575603800
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.943580499546844E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.578026709258337
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.317424971016162
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.671906300272895E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.421681145413600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.155213599363108
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.174913785193623
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.195185101180861
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.590037096004143E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.313325097451706
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.827438262862528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.916009330854035E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.396428238821461E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.544989034642960E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.398119957874525
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.195185101180861
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.590037096004143E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.313325097451706
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.827438262862528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.916009330854035E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.396428238821461E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.544989034642960E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.398119957874525
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.228911798073290E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.795806263227415E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.818589502178781E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.241439377693471E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.092514281319636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.151619140780403
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.374371997376053E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.768690681731477E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.228911798073290E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.795806263227415E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.818589502178781E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.241439377693471E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.092514281319636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.151619140780403
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.374371997376053E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.768690681731477E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.865383668433313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.981433226579535E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.038283421736699E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.124445212111865
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.232059747805259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.528341727804752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.947786351633553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-4.247778897462139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.865383668433313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.981433226579535E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.038283421736699E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.124445212111865
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.232059747805259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.528341727804752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.947786351633553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-4.247778897462139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.368867150503125E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.143809523194107E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.612957824287027E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.126642449845175E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.269815656209862E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.530971639649990E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.777324520039831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.084305725498678E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.368867150503125E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.143809523194107E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.612957824287027E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.126642449845175E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.269815656209862E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.530971639649990E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.777324520039831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.084305725498678E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.426853770017798E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.026936581533842E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.014684805210330E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.422024420332553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.459837272259543E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.946840196173951E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.058336112612047E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-6.725735780518398E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.426853770017798E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.026936581533842E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.014684805210330E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.422024420332553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.459837272259543E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.946840196173951E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.058336112612047E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-6.725735780518398E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.007980439171532E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.793356652957681E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.798727268474582E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.853712256751834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.644780377337145E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.131691529444096E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.147666349818048E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-5.145336877484715E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.007980439171532E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.793356652957681E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.798727268474582E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.853712256751834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.644780377337145E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.131691529444096E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.147666349818048E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-5.145336877484715E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.285482432607959E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.169534964586206E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.489324503423628E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.201779571367792
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.680281852008314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-9.218986932610458E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.555141492681011E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.430004685618897E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.285482432607959E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.169534964586206E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.489324503423628E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.201779571367792
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.680281852008314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-9.218986932610458E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.555141492681011E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.430004685618897E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.737284915786921E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.110661429253315E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.211521400084828E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.113144810373171
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.149281728416214E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
5.414779163994505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.204199763160969
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.128016805343569
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.737284915786921E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.110661429253315E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.211521400084828E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.113144810373171
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.149281728416214E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
5.414779163994505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.204199763160969
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.128016805343569
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.006095664389505E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.384494098045323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.301064224970029E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
9.193659699704766E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.051681854131003E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.088874334098613E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.444217479505570E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.939502799798571E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.006095664389505E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.384494098045323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.301064224970029E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
9.193659699704766E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.051681854131003E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.088874334098613E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.444217479505570E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.939502799798571E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.655946496314750E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.808390641532289E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
9.571960983468821E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.385321865072242E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.830615791551179E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.795889094472358E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.964922867235278E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.038649801931341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.655946496314750E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.808390641532289E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
9.571960983468821E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.385321865072242E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.830615791551179E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.795889094472358E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.964922867235278E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.038649801931341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-7.606386611151284E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.582506357971174E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.650374411882424E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.307216385721733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.165168087439884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
5.903906843142842E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
9.123419904251794E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-7.606386611151284E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.582506357971174E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.650374411882424E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.307216385721733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.165168087439884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
5.903906843142842E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
9.123419904251794E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.437692121943500E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.964333111882098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.128504388664925
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.036718060827471E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.854443860600456E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.981013046415786E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.085919846132495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.095402876844423E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.437692121943500E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.964333111882098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.128504388664925
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.036718060827471E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.854443860600456E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.981013046415786E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.085919846132495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.095402876844423E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.566023110330769E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.864573906861853E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.712696485544258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.109673245318485
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.676685495449192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.103487507927688E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.109061171797011E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.542976079746188E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.566023110330769E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.864573906861853E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.712696485544258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.109673245318485
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.676685495449192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.103487507927688E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.109061171797011E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.542976079746188E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.519147162707763E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.407721870755565E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.285635247135791E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
2.626949695312880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.178712169419563E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.105119231236713
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.913912509016822E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.787662335950183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.519147162707763E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.407721870755565E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.285635247135791E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
2.626949695312880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.178712169419563E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.105119231236713
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.913912509016822E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.787662335950183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.203374246231621E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.147556521012241E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.155545357981604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-8.726074372493477E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.574273923512980E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.141147255563606E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.658776904271895E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.616427520833098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.203374246231621E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.147556521012241E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.155545357981604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-8.726074372493477E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.574273923512980E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.141147255563606E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.658776904271895E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.616427520833098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
6.861015881598795E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.815938700769495E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
6.087254749829044E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.983732139205299E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.043557992174323E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.294507856773398E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.482021827978743E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-9.694955963254813E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
6.861015881598795E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.815938700769495E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
6.087254749829044E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.983732139205299E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.043557992174323E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.294507856773398E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.482021827978743E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-9.694955963254813E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.164159435970851E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.594049076861060E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.164159435970851E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.594049076861060E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
8.744672349243379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.163075121451899E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
8.744672349243379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.163075121451899E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-8.326613052242802E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.367741204914633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-8.326613052242802E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.367741204914633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.566003476886094E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.970097631453507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.566003476886094E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.970097631453507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.578029386374992E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.448110008758677E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.578029386374992E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.448110008758677E-002
DAV: 32 -0.234695174204E+05 -0.63024E+04 -0.23563E+05 120 0.281E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.28490 new 45.62565
0.111E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.376206172024311
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.101818785888500
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.779264116586960E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.761094378352466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.462256684401851
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.271687700412406
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.761778434307909
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.360588683462885E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.376206172024311
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.101818785888500
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.779264116586960E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.761094378352466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.462256684401851
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.271687700412406
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.761778434307909
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.360588683462885E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.861173161579566
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.187252844980072
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.519523050664044E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.672071774121661
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.153212181582493
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.621237220469949E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.363481469179645
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.159046065818681
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.861173161579566
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.187252844980072
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.519523050664044E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.672071774121661
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.153212181582493
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.621237220469949E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.363481469179645
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.159046065818681
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.299355031441649
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.235003187020386
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.164335499250475
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.182100279029855
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.379070896709568E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.766763122398376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.190775527360171
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.154520936560999
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.299355031441649
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.235003187020386
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.164335499250475
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.182100279029855
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.379070896709568E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.766763122398376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.190775527360171
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.154520936560999
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.335176816457002E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.735299896919020E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.257630678907246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.383936997317269
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.201651392370987
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.168666566532234
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.246769442537717
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.190126836421229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.335176816457002E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.735299896919020E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.257630678907246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.383936997317269
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.201651392370987
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.168666566532234
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.246769442537717
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.190126836421229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.193954508740388
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.183080520259797
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.257570249665090
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.124969945570074
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.478257622298241E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.155143475506478
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.103757609996547
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.568672248841641E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.193954508740388
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.183080520259797
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.257570249665090
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.124969945570074
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.478257622298241E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.155143475506478
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.103757609996547
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.568672248841641E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.158087774295591
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.201322114185400
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.265786303298457
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.791565757209317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.122138438241642
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.119153558658222
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-7.682426311854278E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.772912795067611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.158087774295591
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.201322114185400
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.265786303298457
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.791565757209317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.122138438241642
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.119153558658222
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-7.682426311854278E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.772912795067611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.886306998933885E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.642856552188462E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.180644471575024
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.197091665911544
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.660271513051397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
7.065302045202972E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.609814787148093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.543356141388868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.886306998933885E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.642856552188462E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.180644471575024
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.197091665911544
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.660271513051397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
7.065302045202972E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.609814787148093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.543356141388868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
4.970090636789385E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.883819855512059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.109430534882172
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.142333292806757E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
7.509377704661903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.198539000255688E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.683794461493399E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.879507780279223E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
4.970090636789385E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.883819855512059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.109430534882172
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.142333292806757E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
7.509377704661903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.198539000255688E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.683794461493399E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.879507780279223E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.902575526762755E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.537750214987056E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.172025586602032
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.366235282902881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
8.886393361309811E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.524057626927882E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.403214275973146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.068288458568673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.902575526762755E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.537750214987056E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.172025586602032
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.366235282902881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
8.886393361309811E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.524057626927882E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.403214275973146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.068288458568673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.246009578233756E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.728860336839916E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.656304930044006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.119076399269126
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.900130621935650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
6.326344572142011E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.920024151850248E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.983272809743538E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.246009578233756E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.728860336839916E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.656304930044006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.119076399269126
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.900130621935650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
6.326344572142011E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.920024151850248E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.983272809743538E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.146181499340458E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.061522967332211E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.341104860342486E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.487120720909454E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.837838372699374E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.369404000567988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.745494363592151E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.976818786978440E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.146181499340458E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.061522967332211E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.341104860342486E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.487120720909454E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.837838372699374E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.369404000567988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.745494363592151E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.976818786978440E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.599282202625764E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
8.377814298463135E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.472845269728601E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-5.192980649008480E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-6.892699726333875E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.173611443851190E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
9.668852995805714E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-4.825284879660586E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.599282202625764E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
8.377814298463135E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.472845269728601E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-5.192980649008480E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-6.892699726333875E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.173611443851190E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
9.668852995805714E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-4.825284879660586E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.737654638007056E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.558225833638343E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-8.178212210788556E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.775225764094370E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.588930843135915E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.163358894117174E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.416617641621862E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.042308859092413E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.737654638007056E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.558225833638343E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-8.178212210788556E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.775225764094370E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.588930843135915E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.163358894117174E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.416617641621862E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.042308859092413E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.122318391869941
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.377970586593914E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.720253223586141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.976168539471941E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
8.649665954113733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.151779993852973
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.983520837609187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.715968334271435E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.122318391869941
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.377970586593914E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.720253223586141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.976168539471941E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
8.649665954113733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.151779993852973
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.983520837609187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.715968334271435E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.991392398862862E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.251352609574631
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.237972241737275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.474654331296361E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.159649177084906
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.362364687465299E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.816485030303062E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.432444336600705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.991392398862862E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.251352609574631
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.237972241737275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.474654331296361E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.159649177084906
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.362364687465299E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.816485030303062E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.432444336600705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.023947843326534E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.226815611794981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.979178740484831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.809329251478253E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.690933295618626E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.337890190943868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.156080724512419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.320903671304816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.023947843326534E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.226815611794981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.979178740484831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.809329251478253E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.690933295618626E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.337890190943868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.156080724512419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.320903671304816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.690419662892394E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-7.708690376941882E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.524712682863679E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.989563447805641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.622692474016366E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.235311238374179E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.462238064352739E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.830994156846096E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.690419662892394E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-7.708690376941882E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.524712682863679E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.989563447805641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.622692474016366E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.235311238374179E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.462238064352739E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.830994156846096E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-8.522503375712802E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-4.019699110667886E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.246127503633913E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.130234709477308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-7.898123001183808E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.186579710199354E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.047297904477067E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.160457233254498E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-8.522503375712802E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-4.019699110667886E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.246127503633913E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.130234709477308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-7.898123001183808E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.186579710199354E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.047297904477067E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.160457233254498E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.110573745338847
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.347626578721167
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.110573745338847
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.347626578721167
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.287979891752467
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.923894508229083E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.287979891752467
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.923894508229083E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.147268403001562
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.127524816360214
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.147268403001562
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.127524816360214
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.892369762490189E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.900861127895701E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.892369762490189E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.900861127895701E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.037355165749320E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
2.292754103169260E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.037355165749320E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
2.292754103169260E-002
DAV: 33 -0.115094713456E+05 0.11960E+05 -0.11494E+05 120 0.311E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.62565 new 45.95518
0.103E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.901106767654900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.170736490403668
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
6.916558582199456E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.136655292831171
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.233039697682482
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.131086535509217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.517353863284038
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.327914622897459
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.901106767654900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.170736490403668
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
6.916558582199456E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.136655292831171
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.233039697682482
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.131086535509217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.517353863284038
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.327914622897459
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.443841662633925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.483506586866393E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.780258197699847E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.924099910195634E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.239018515834700
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.320485671113292E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.164334458352783
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.351449223519602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.443841662633925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.483506586866393E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.780258197699847E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.924099910195634E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.239018515834700
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.320485671113292E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.164334458352783
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.351449223519602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.188127353352057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.005080769367838E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.125864459477403
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.639712284397631E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.284056142624055
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.495215298591237E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.211775575856318
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.754587906703744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.188127353352057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.005080769367838E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.125864459477403
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.639712284397631E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.284056142624055
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.495215298591237E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.211775575856318
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.754587906703744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.425977919824864
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.391149091468740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.597371532126252
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.494144399519261
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.215879810987509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.221788796152898
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.102566767517974
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.605301356308097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.425977919824864
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.391149091468740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.597371532126252
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.494144399519261
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.215879810987509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.221788796152898
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.102566767517974
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.605301356308097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.179370111744648E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.296287488666570
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.126829798007817
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.127959489522506
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.143125041499454
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.388723008752908
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.640137706646825E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.909025350540896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.179370111744648E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.296287488666570
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.126829798007817
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.127959489522506
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.143125041499454
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.388723008752908
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.640137706646825E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.909025350540896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
4.053349911511373E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.937890307393391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.304384035052430E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.172530691590247
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.963977095235474E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.097355447867470E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.843345201242201E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.599345636157648E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
4.053349911511373E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.937890307393391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.304384035052430E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.172530691590247
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.963977095235474E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.097355447867470E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.843345201242201E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.599345636157648E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.758485832799641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.275618639640512
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.123639893222376
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.017622683847614E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
5.251736891808327E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
8.879331102588837E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
4.179802664657789E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.316266272694387E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.758485832799641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.275618639640512
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.123639893222376
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.017622683847614E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
5.251736891808327E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
8.879331102588837E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
4.179802664657789E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.316266272694387E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
3.238309268769032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
8.413075475681792E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.396740898595073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
5.450396783988048E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.157816612970178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.489038181804497E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.415076360621663E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.611852101823943E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
3.238309268769032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
8.413075475681792E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.396740898595073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
5.450396783988048E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.157816612970178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.489038181804497E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.415076360621663E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.611852101823943E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.379150039292486E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.113595283243207
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.083558262693807E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.708716770948587E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.113145949086787
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.005867815952292E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.281149817649691
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
8.913662752150882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.379150039292486E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.113595283243207
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.083558262693807E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.708716770948587E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.113145949086787
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.005867815952292E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.281149817649691
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
8.913662752150882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.507972384005422E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.566157538437217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-7.276474606416578E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.140644995831750
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.549148992604456E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.118236531945557
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.137097932691902
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.143843633773854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.507972384005422E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.566157538437217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-7.276474606416578E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.140644995831750
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.549148992604456E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.118236531945557
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.137097932691902
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.143843633773854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.969698670573470E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.889012617754880E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.275479908372685E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.744547357413213E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.480322631356316E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.928406873946240E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.573012387593161E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.601885558220362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.969698670573470E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.889012617754880E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.275479908372685E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.744547357413213E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.480322631356316E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.928406873946240E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.573012387593161E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.601885558220362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.587049072049790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.105193288017111
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.589182213904098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.896007064005707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.866131130591582E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.276063585871617
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-7.505371902902920E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.271533025375923E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.587049072049790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.105193288017111
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.589182213904098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.896007064005707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.866131130591582E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.276063585871617
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-7.505371902902920E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.271533025375923E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.185418591956793
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.989468732400168E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.966533435707150E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.916599492813294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.963960175477247E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.678088661959405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-9.042272800524577E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.521230196209178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.185418591956793
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.989468732400168E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.966533435707150E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.916599492813294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.963960175477247E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.678088661959405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-9.042272800524577E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.521230196209178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
6.818387880612846E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.398735369681252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.579786575954735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.889709903534117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.091835760770463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.592287887157782E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.113660832577764
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.819924896190779E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
6.818387880612846E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.398735369681252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.579786575954735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.889709903534117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.091835760770463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.592287887157782E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.113660832577764
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.819924896190779E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-7.221350279041124E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.743977143535373E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.672825117603745E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.311298752096145E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.984999113752705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.010625920331647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.734049020736270E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
7.516385598459353E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-7.221350279041124E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.743977143535373E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.672825117603745E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.311298752096145E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.984999113752705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.010625920331647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.734049020736270E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
7.516385598459353E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-7.309270251833276E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.146663711126168E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
6.318929020951713E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.868128345458095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.971225416380910E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.376973019415530E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
8.811881814155204E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.550443708435616E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-7.309270251833276E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.146663711126168E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
6.318929020951713E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.868128345458095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.971225416380910E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.376973019415530E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
8.811881814155204E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.550443708435616E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.402903596198453
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.618622659852424
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.402903596198453
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.618622659852424
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.466180936933671E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.231820606743258
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.466180936933671E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.231820606743258
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.631014310952975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.998301970826954E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.631014310952975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.998301970826954E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.287289526648546E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.446909053824666E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.287289526648546E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.446909053824666E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.548806579137189E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.092417407915733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.548806579137189E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.092417407915733E-002
DAV: 34 -0.210712204566E+04 0.94023E+04 -0.17155E+04 104 0.271E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.95518 new 47.10241
0.620E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.593076104326828E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.540470905925198
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.525814413093204
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.868908881927070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.216014597675799
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.607791968817623E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.522899964327041
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.44054652595400
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.593076104326828E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.540470905925198
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.525814413093204
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.868908881927070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.216014597675799
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.607791968817623E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.522899964327041
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.44054652595400
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.176860861719596E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.334303748156515
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.509813056754739
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.756308384649058E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.845048861840832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.396797097877721
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.530445986867712
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.312707611023884
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.176860861719596E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.334303748156515
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.509813056754739
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.756308384649058E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.845048861840832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.396797097877721
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.530445986867712
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.312707611023884
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.180187920877102
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.242688243602948
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.934528373528767E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.267927185850131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.401735228791274E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.563805127253968E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.121093863956712
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.731091567075207
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.180187920877102
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.242688243602948
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.934528373528767E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.267927185850131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.401735228791274E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.563805127253968E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.121093863956712
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.731091567075207
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
9.202190286839865E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.034397845257877E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.270858404536796
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.252623037293045
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.140893526520787
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.256781143378521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.154673290177754
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.407810667714045
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
9.202190286839865E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.034397845257877E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.270858404536796
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.252623037293045
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.140893526520787
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.256781143378521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.154673290177754
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.407810667714045
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.279442747666744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.461184055690972E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.128825508925643
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.205319893176370
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.151109603882045
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
6.504365214355244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.185945144966301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.174627601903620
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.279442747666744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.461184055690972E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.128825508925643
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.205319893176370
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.151109603882045
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
6.504365214355244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.185945144966301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.174627601903620
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.113862270044879
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.222693745662249E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.118269510509895
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.153188322684182E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.933248827166174E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.853828302423533E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.111561502695894
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.512266593573183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.113862270044879
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.222693745662249E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.118269510509895
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.153188322684182E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.933248827166174E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.853828302423533E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.111561502695894
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.512266593573183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.889548936097297E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.687265742564220E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
6.509108530194684E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.857309036804494E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
8.236882468177394E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.704661197028064E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.926398629398463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.322739408797421E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.889548936097297E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.687265742564220E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
6.509108530194684E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.857309036804494E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
8.236882468177394E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.704661197028064E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.926398629398463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.322739408797421E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
5.172013542051607E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.871085097035017E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.172540299253786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
9.653495517778606E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-6.665274465258363E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
8.401842927576847E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.862130151833301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.116867729782676E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
5.172013542051607E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.871085097035017E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.172540299253786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
9.653495517778606E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-6.665274465258363E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
8.401842927576847E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.862130151833301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.116867729782676E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.148779048005209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.374447323521870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.140827641976719
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.240917109430063
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
9.275785471234740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.949629793531617E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.187825207148029
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.766723140567505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.148779048005209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.374447323521870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.140827641976719
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.240917109430063
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
9.275785471234740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.949629793531617E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.187825207148029
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.766723140567505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.495760663172612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.176729146209527
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.244373671976297
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.203789470934946E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.769854981706168E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.707221116786033E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.137095854065187
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.228081576464183
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.495760663172612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.176729146209527
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.244373671976297
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.203789470934946E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.769854981706168E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.707221116786033E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.137095854065187
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.228081576464183
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.742466616353371E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.254686123642458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.739370964246792E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.095471606878770E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.474989539238854E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.208175392341264E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-6.169442957053761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.222284944461740
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.742466616353371E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.254686123642458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.739370964246792E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.095471606878770E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.474989539238854E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.208175392341264E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-6.169442957053761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.222284944461740
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.393651307128032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.194875648631814E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.286935217759793E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.903002879580812E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.368683881027497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.200359571347990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.925546333450176E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
9.758133815340521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.393651307128032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.194875648631814E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.286935217759793E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.903002879580812E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.368683881027497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.200359571347990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.925546333450176E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
9.758133815340521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.237516342106022E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.595945110700287E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.875196957518065E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.886938417110146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.835715115792521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.681042110553022E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.618042820582493E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.601113955199086E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.237516342106022E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.595945110700287E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.875196957518065E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.886938417110146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.835715115792521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.681042110553022E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.618042820582493E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.601113955199086E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.399730894642784E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.101649898783116
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.183750926719333
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.103336206616234E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.124902100035836
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.163348875673608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.122215993597184
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.128754287351407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.399730894642784E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.101649898783116
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.183750926719333
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.103336206616234E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.124902100035836
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.163348875673608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.122215993597184
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.128754287351407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.034431688913054E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.103922406074175
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.157341221482450E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.118345766551865
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.965162824367286E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.617614294355153E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.320604991986859E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.117154854236192
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.034431688913054E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.103922406074175
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.157341221482450E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.118345766551865
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.965162824367286E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.617614294355153E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.320604991986859E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.117154854236192
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.009346898326302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.618393927712354E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.261859500465622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.108958160163845
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.231663655009131
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.255993560403469E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.051229147495725E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.192651157520770
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.009346898326302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.618393927712354E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.261859500465622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.108958160163845
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.231663655009131
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.255993560403469E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.051229147495725E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.192651157520770
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.629730992907892E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.503657101446146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.169062205651861E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.993619617719880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.219366490682964
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.764716500301614E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.148615795806351
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
7.877260308949615E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.629730992907892E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.503657101446146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.169062205651861E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.993619617719880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.219366490682964
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.764716500301614E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.148615795806351
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
7.877260308949615E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.429696660686737E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-4.382322024988981E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.765632826711800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.450455212845883E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.153864970663168
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.143090959284087E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.169653721561380
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.269557490675180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.429696660686737E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-4.382322024988981E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.765632826711800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.450455212845883E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.153864970663168
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.143090959284087E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.169653721561380
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.269557490675180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.015266268146108E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.234424600387777
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.015266268146108E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.234424600387777
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
6.428961849401799E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.248983752190292
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
6.428961849401799E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.248983752190292
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.093520416271019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.989703126647348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.093520416271019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.989703126647348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.900656218858090E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.993619276263634E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.900656218858090E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.993619276263634E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
9.134411475600479E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.183283428379293E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
9.134411475600479E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.183283428379293E-002
DAV: 35 -0.247631541243E+04 -0.36919E+03 -0.16009E+04 120 0.220E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 47.10241 new 45.92199
0.585E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.527237923458571
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.823981728121831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
5.344543478680797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.265521971296385
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.146816045806170
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.731959929132935E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.492409150384389E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.046250930846057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.527237923458571
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.823981728121831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
5.344543478680797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.265521971296385
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.146816045806170
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.731959929132935E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.492409150384389E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.046250930846057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.294960252959556
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.602302784791723E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.466866545126538E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.614738579391720
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.052437552440704E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-8.302549872132851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.239030791843567
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.606762298677881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.294960252959556
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.602302784791723E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.466866545126538E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.614738579391720
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.052437552440704E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-8.302549872132851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.239030791843567
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.606762298677881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-6.813283031378460E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.361913233470875E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.106317579910076
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.159555626385247
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.974108965524214E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.132924819763037
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
9.826798171201367E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.338660218434131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-6.813283031378460E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.361913233470875E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.106317579910076
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.159555626385247
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.974108965524214E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.132924819763037
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
9.826798171201367E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.338660218434131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.824739869968327E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.390082743507604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.232236913810940E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.925408449066946E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.514508302516602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-7.408686912453628E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.257816176701062E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.146082693313073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.824739869968327E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.390082743507604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.232236913810940E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.925408449066946E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.514508302516602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-7.408686912453628E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.257816176701062E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.146082693313073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.896596236431887E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.896596236431887E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
6.792993310124030E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.701720814709564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-3.962773773102927E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.149729049385447E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.970136041837379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.196219862529740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-6.955878642572283E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
6.792993310124030E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.701720814709564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-3.962773773102927E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.149729049385447E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.970136041837379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.196219862529740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-6.955878642572283E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.750150606642051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.159479325114717
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.110687527131425
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.25905527445178
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.138053536427970
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.149891257048567
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.482945345363545E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.576603663761915E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.750150606642051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.159479325114717
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.110687527131425
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.25905527445178
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.138053536427970
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.149891257048567
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.482945345363545E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.576603663761915E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.146340085629607
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.107284939845942
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.996559785773437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.117647032581234
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.199457417211899
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.733604669178298E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.106857588863111
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-4.443090316410264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.146340085629607
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.107284939845942
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.996559785773437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.117647032581234
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.199457417211899
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.733604669178298E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.106857588863111
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-4.443090316410264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.711823972224093E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.214274684959970E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.984268337532164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.519705538157536E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.894850717307223E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.065540842428117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.859206940477709E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.173438399266791
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.711823972224093E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.214274684959970E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.984268337532164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.519705538157536E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.894850717307223E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.065540842428117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.859206940477709E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.173438399266791
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.757390500189328E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.260620416841156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.273656627308417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.708412048158651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.283873511271287E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.093929251835357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.224278346739684E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.146091144319325E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.757390500189328E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.260620416841156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.273656627308417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.708412048158651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.283873511271287E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.093929251835357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.224278346739684E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.146091144319325E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
6.552530726844400E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.245502754331068E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.614256275093864E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
4.130417895330769E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
8.613683945077312E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-6.762482389641456E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.720259340536087E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.144238471228943E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
6.552530726844400E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.245502754331068E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.614256275093864E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
4.130417895330769E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
8.613683945077312E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-6.762482389641456E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.720259340536087E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.144238471228943E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.227481790825939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.389752827436650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.157968417132640
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.152939499723882
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.440245317022100
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.120982077733729
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-5.226238640064793E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.740137209928324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.227481790825939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.389752827436650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.157968417132640
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.152939499723882
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.440245317022100
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.120982077733729
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-5.226238640064793E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.740137209928324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.248520150165957
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.226643267505055
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.232919332115542
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.555998627190306
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.226133401158759
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.185696125170611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.228681764598306
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.194343505335518E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.248520150165957
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.226643267505055
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.232919332115542
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.555998627190306
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.226133401158759
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.185696125170611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.228681764598306
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.194343505335518E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.864508537386897E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
5.358486536196455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.189059261163684E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.163470759015255
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.948105936082335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.241403872657524E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.188313906356602
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.707422799632016E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.864508537386897E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
5.358486536196455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.189059261163684E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.163470759015255
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.948105936082335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.241403872657524E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.188313906356602
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.707422799632016E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.926820355750284E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.354701748416299E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-8.177700215632749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.520913527325951E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.104778259918523E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-4.621885422999725E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.448435457271463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.926820355750284E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.354701748416299E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-8.177700215632749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.520913527325951E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.104778259918523E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-4.621885422999725E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.448435457271463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.675586874169483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.687757442527848E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.851600631501621E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.929470923179449E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.174428110714876E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.264506563973465E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.824543302909085E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.366090879586629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.675586874169483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.687757442527848E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.851600631501621E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.929470923179449E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.174428110714876E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.264506563973465E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.824543302909085E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.366090879586629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.710355868236565E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.197780127746280
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.108515334490375
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.174264827225190
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.126850849141295
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.240411164844316
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.278692670881764
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.106931559653117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.710355868236565E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.197780127746280
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.108515334490375
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.174264827225190
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.126850849141295
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.240411164844316
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.278692670881764
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.106931559653117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.186074212974732
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.602114890829599E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.926502931892734E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.206293812032458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-9.944719962171449E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.148536787555767
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.507804984658327
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.276880864605262E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.186074212974732
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.602114890829599E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.926502931892734E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.206293812032458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-9.944719962171449E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.148536787555767
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.507804984658327
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.276880864605262E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.232252926887093
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.228765249806978
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.535666602770707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.151661369712128
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.085325363818486E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.200157096893083E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.240743832985961
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.338660937035282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.232252926887093
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.228765249806978
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.535666602770707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.151661369712128
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.085325363818486E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.200157096893083E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.240743832985961
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.338660937035282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.100712168699674
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.114387773108069
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
8.816433971970121E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
5.772314365455455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-6.027327811803868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.769097996489843E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
7.594082737083252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
8.412478599041807E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.100712168699674
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.114387773108069
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
8.816433971970121E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
5.772314365455455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-6.027327811803868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.769097996489843E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
7.594082737083252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
8.412478599041807E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
4.379303347249981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
7.407869219821567E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.155443785931497E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.076248375548220E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.949834166835529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-3.983521584440977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.686262155832931E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.147782863006116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
4.379303347249981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
7.407869219821567E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.155443785931497E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.076248375548220E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.949834166835529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-3.983521584440977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.686262155832931E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.147782863006116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.169709268886056
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.173507177794569
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.169709268886056
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.173507177794569
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.418177603862838
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.830684017396463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.418177603862838
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.830684017396463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.224208975339184
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.808756681767378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.224208975339184
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.808756681767378E-002
DAV: 36 -0.376734217391E+04 -0.12910E+04 -0.27046E+04 132 0.249E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.92199 new 46.65040
0.844E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.310535006613443
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.163328604292267E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.209538312313609
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.178706093626273
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.493113618145957
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.364014785173424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.238756795867187
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.512033322813308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.310535006613443
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.163328604292267E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.209538312313609
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.178706093626273
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.493113618145957
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.364014785173424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.238756795867187
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.512033322813308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.145814173613895
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.093738698237888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-9.144460822915240E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.641717746949897
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
7.340986260552521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.577954208188878E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.983290492061393E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.861531207061981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.145814173613895
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.093738698237888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-9.144460822915240E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.641717746949897
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
7.340986260552521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.577954208188878E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.983290492061393E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.861531207061981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.172722565667045
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.202817827445990
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.600192908563171E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.636919644667980
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.126862564131568
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-4.660255844225473E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.156041228748189E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.373487914122458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.172722565667045
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.202817827445990
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.600192908563171E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.636919644667980
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.126862564131568
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-4.660255844225473E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.156041228748189E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.373487914122458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.376108524758508
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.354514392136514
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.493858164478102
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.373205301395823
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.754963615673952E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.148388230298009
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.265804260221455
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.416325904182581E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.376108524758508
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.354514392136514
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.493858164478102
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.373205301395823
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.754963615673952E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.148388230298009
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.265804260221455
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.416325904182581E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.976014924097501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.401496063777054E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.136598214747388
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.647816599221613E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.115500937136013
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.911815762518433E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.500124834109662E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.462224463775441E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.976014924097501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.401496063777054E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.136598214747388
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.647816599221613E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.115500937136013
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.911815762518433E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.500124834109662E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.462224463775441E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.689271041335234E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.111936281921492
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.119252591046777
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.108221005872948E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.266365338107356
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.180849253085251
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.051619165096509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.125784958083712
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.689271041335234E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.111936281921492
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.119252591046777
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.108221005872948E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.266365338107356
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.180849253085251
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.051619165096509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.125784958083712
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.094147204955342E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.310348519454320E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.237810873703437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
9.960081384264852E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.189812244515919
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.386498682529744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.739187925273427E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.365267710190602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.094147204955342E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.310348519454320E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.237810873703437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
9.960081384264852E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.189812244515919
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.386498682529744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.739187925273427E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.365267710190602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
6.054520170563489E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.779432955201630E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.229203455364460E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.632547942310837E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.104012308769382
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.540114680656256E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.475607766369966E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.216021613924279E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
6.054520170563489E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.779432955201630E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.229203455364460E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.632547942310837E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.104012308769382
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.540114680656256E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.475607766369966E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.216021613924279E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.100638446264183
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-9.266593397233010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.907687870003219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.195060474840203
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.876610548870304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.650149909805059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.365393013279658
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.184746878449335
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.100638446264183
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-9.266593397233010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.907687870003219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.195060474840203
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.876610548870304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.650149909805059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.365393013279658
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.184746878449335
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.961196373611230E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.269910549654848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.507040203333141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.508195165796483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.188663816635565E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.107586989776663
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.236814715707355E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.127070926122370
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.961196373611230E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.269910549654848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.507040203333141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.508195165796483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.188663816635565E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.107586989776663
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.236814715707355E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.127070926122370
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.201091091617471
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.193678890537956
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.812426572009251E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.166553138512947
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.460475550573029E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.143384959115906E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.133913239535354
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
6.352006304386446E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.201091091617471
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.193678890537956
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.812426572009251E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.166553138512947
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.460475550573029E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.143384959115906E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.133913239535354
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
6.352006304386446E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.00134248936490
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.273333350356075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.894774713608365E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.333125937004599E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.564408176783095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.561695252000807E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.838545022289991E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.655194880870459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.00134248936490
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.273333350356075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.894774713608365E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.333125937004599E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.564408176783095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.561695252000807E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.838545022289991E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.655194880870459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.524451670504714
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.626731141544382E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.553033982296751E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.568145615452984E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.982901285855652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.047371223663710E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
5.966393845887959E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.877192555106035E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.524451670504714
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.626731141544382E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.553033982296751E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.568145615452984E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.982901285855652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.047371223663710E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
5.966393845887959E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.877192555106035E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
8.646205584999517E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.121040991035623
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.626979284652323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.124922470841871E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.759623546404193E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.239351301015404
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.228542628617611
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.114006464016959
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
8.646205584999517E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.121040991035623
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.626979284652323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.124922470841871E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.759623546404193E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.239351301015404
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.228542628617611
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.114006464016959
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.326920909820107
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.300509837473009
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.914432612094781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.520913500919810E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.249760301408431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.053119172166927E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.375434918394585E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.125642941860644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.326920909820107
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.300509837473009
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.914432612094781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.520913500919810E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.249760301408431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.053119172166927E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.375434918394585E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.125642941860644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.224243531683187
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.196644938757624
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.119934143251920
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.113893415547241
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.045656548420132E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.605229673980275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.181100474633131
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.383885675944192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.224243531683187
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.196644938757624
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.119934143251920
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.113893415547241
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.045656548420132E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.605229673980275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.181100474633131
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.383885675944192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.130750040660424
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-9.841101541839684E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.247243982776363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.912577951552952E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.503291926243816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.027405822432804E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.149253542089582
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.102207404382423
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.130750040660424
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-9.841101541839684E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.247243982776363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.912577951552952E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.503291926243816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.027405822432804E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.149253542089582
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.102207404382423
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.526152447505594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.260442684103682E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.100961318596987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-8.055164873456666E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.664318158904187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.838222811480695E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
9.657625489177109E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
7.927757656519119E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.526152447505594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.260442684103682E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.100961318596987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-8.055164873456666E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.664318158904187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.838222811480695E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
9.657625489177109E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
7.927757656519119E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.288794934906018
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.930781215247641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.288794934906018
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.930781215247641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.124197126999599
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.769763164867886E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.124197126999599
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.769763164867886E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.105273382376583
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.612074430646987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.105273382376583
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.612074430646987E-002
DAV: 37 -0.668128193814E+04 -0.29139E+04 -0.39256E+04 116 0.319E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.65040 new 44.18285
0.865E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.325963449724552
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.155793353867967E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.170310205512630
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.453500332810921E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.321941318829353
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.868697139700506E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.118488401935726
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.427471402261601
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.325963449724552
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.155793353867967E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.170310205512630
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.453500332810921E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.321941318829353
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.868697139700506E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.118488401935726
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.427471402261601
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.410122687166444E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.482419793447131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.639014179437655E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.991153767879137E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.237851188267727
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.699037399761306E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.232041694801291
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.157898719424374
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.410122687166444E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.482419793447131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.639014179437655E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.991153767879137E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.237851188267727
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.699037399761306E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.232041694801291
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.157898719424374
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.533503783676842E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.163032671665275
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.122968744838257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.642298095574982E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.016138423162144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.194732115589886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.946513381066778E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.113101289473243
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.533503783676842E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.163032671665275
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.122968744838257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.642298095574982E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.016138423162144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.194732115589886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.946513381066778E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.113101289473243
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.556563289777055
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.404629380494365
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.189950095695126
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.136296830289181
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.11619810263664
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.255137927093773
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.250503316781987
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.790810671249399
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.556563289777055
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.404629380494365
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.189950095695126
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.136296830289181
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.11619810263664
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.255137927093773
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.250503316781987
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.790810671249399
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.651422709092955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.193399993835826
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.142448894717387
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.607178812326486E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.217534464788486
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.105264181782382
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.100521835232192
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.586516610346017E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.651422709092955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.193399993835826
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.142448894717387
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.607178812326486E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.217534464788486
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.105264181782382
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.100521835232192
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.586516610346017E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.140005001837649
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.119411066737719
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.172846727774587E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.185125899958593
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.752577846694480E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.285991765877795E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.817278074005260E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.784830454511425E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.140005001837649
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.119411066737719
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.172846727774587E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.185125899958593
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.752577846694480E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.285991765877795E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.817278074005260E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.784830454511425E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.858168968977926E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.617189639751218E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.069380445974059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.121661767715098
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-3.979176917496114E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.102395340903661
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.929555232447158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
7.072956879494108E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.858168968977926E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.617189639751218E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.069380445974059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.121661767715098
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-3.979176917496114E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.102395340903661
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.929555232447158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
7.072956879494108E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.740975587687694E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.108708831289346E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
7.591718831062221E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.155736878652338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.827744423277626E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.178530122147983E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.322150618380886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.827286109240848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.740975587687694E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.108708831289346E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
7.591718831062221E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.155736878652338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.827744423277626E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.178530122147983E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.322150618380886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.827286109240848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.246214492720641
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.008572460428982E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.660094244323939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.215348048961801
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.152016241016644
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.109451555231439
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.124326187954560
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.112308854099638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.246214492720641
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.008572460428982E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.660094244323939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.215348048961801
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.152016241016644
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.109451555231439
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.124326187954560
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.112308854099638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.932066980317916E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.148324231852454
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.850052843690976E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.557055012316357
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.410898893788734
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.129415753289367E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.161922388742785
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.952318745879407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.932066980317916E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.148324231852454
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.850052843690976E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.557055012316357
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.410898893788734
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.129415753289367E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.161922388742785
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.952318745879407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.102489339946827
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.977494490384444E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.536628634609858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.639822768118271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.746743748610708E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.272574354825302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.619967199899845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.940254847751842E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.102489339946827
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.977494490384444E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.536628634609858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.639822768118271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.746743748610708E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.272574354825302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.619967199899845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.940254847751842E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.165373630052924E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
7.384049209587807E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.252080629854861E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.927281986926891E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-7.716002267642658E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.716372162233701E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.200081804569726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.126725371565280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.165373630052924E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
7.384049209587807E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.252080629854861E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.927281986926891E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-7.716002267642658E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.716372162233701E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.200081804569726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.126725371565280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.669521130756632E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.595418627747776E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
5.674109873136037E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
4.402157696855231E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.455976505236182E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.304548802515156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.651342557691797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.569522571994568E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.669521130756632E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.595418627747776E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
5.674109873136037E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
4.402157696855231E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.455976505236182E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.304548802515156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.651342557691797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.569522571994568E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.878942452890585E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.753780145152703E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
8.520110136268938E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.631992783855051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
3.160834308200294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.191163708845739
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.984576804144774E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.369444803097658E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.878942452890585E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.753780145152703E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
8.520110136268938E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.631992783855051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
3.160834308200294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.191163708845739
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.984576804144774E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.369444803097658E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.673507128321292E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.111579909333629
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.152292907512599E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-9.730452742613717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.119956982199161
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.827634082566977E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.939944018815572E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.608329244409348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.673507128321292E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.111579909333629
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.152292907512599E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-9.730452742613717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.119956982199161
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.827634082566977E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.939944018815572E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.608329244409348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.182299780301141
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.106989932082048
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.747765480324818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.301581216176556
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.026906127186006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.007165485602799E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.068391490969849E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.620404248219919E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.182299780301141
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.106989932082048
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.747765480324818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.301581216176556
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.026906127186006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.007165485602799E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.068391490969849E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.620404248219919E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.290245224983844E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.026038578261365E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-9.237568626499893E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.135218061273341
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.155749121757010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.641880561697181E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.274720621754834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.054858590405322E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.290245224983844E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.026038578261365E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-9.237568626499893E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.135218061273341
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.155749121757010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.641880561697181E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.274720621754834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.054858590405322E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-4.391715220272198E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.012448863680032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.178313146703259E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.279549756828566E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.841508596070192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.792777978009790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.114462808342683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.711137892420024E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-4.391715220272198E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.012448863680032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.178313146703259E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.279549756828566E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.841508596070192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.792777978009790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.114462808342683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.711137892420024E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.336090871513078
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.02458916793331
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.336090871513078
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.02458916793331
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.120214374604472
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.304526366201353
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.120214374604472
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.304526366201353
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.152078696818573
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.007268715757641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.152078696818573
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.007268715757641E-002
DAV: 38 -0.366236151819E+04 0.30189E+04 -0.26760E+04 116 0.306E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 44.18285 new 44.26206
0.139E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.116150318175067
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-4.279383347869146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.203896849254692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.267380826293423
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.643275830463881
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.452431699423968
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.152688039242337
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
8.595104909833931E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.116150318175067
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-4.279383347869146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.203896849254692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.267380826293423
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.643275830463881
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.452431699423968
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.152688039242337
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
8.595104909833931E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.991234649356806E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.159858730919676E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.848463936418486E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.291072180176115
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.503004235168641
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.398999696131826
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.187690901426850
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.314350266363278E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.991234649356806E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.159858730919676E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.848463936418486E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.291072180176115
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.503004235168641
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.398999696131826
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.187690901426850
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.314350266363278E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.627090403938766E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.294964748092342E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.518242514604905E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.142398962374810
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.151650038469478
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.393251514361846
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.195171349386255E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.407701849881217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.627090403938766E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.294964748092342E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.518242514604905E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.142398962374810
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.151650038469478
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.393251514361846
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.195171349386255E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.407701849881217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.357374234415248
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.217843372565955
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.685531846274509
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.192278853975692
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.176445905828088
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.272278935752910
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.185289947035767
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.142233256542369
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.357374234415248
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.217843372565955
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.685531846274509
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.192278853975692
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.176445905828088
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.272278935752910
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.185289947035767
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.142233256542369
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
9.448262655799570E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.168162079011707
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.735567309227776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.130387402072097
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.150331055954501
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.169699892212025
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.956978761314537E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.245517804867654
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
9.448262655799570E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.168162079011707
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.735567309227776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.130387402072097
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.150331055954501
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.169699892212025
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.956978761314537E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.245517804867654
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.111324993375782
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.123276797994025
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.161824810600733
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.188302761275388E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.207291338386401
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.651171680359753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.177102732112692
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.351171692817328
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.111324993375782
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.123276797994025
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.161824810600733
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.188302761275388E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.207291338386401
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.651171680359753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.177102732112692
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.351171692817328
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
5.598808498279247E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
6.180288852531708E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.127555539926451
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.210968437637561
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.360434151571586
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.137244578427308
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.173550770959604
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.197356692259787
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
5.598808498279247E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
6.180288852531708E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.127555539926451
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.210968437637561
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.360434151571586
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.137244578427308
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.173550770959604
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.197356692259787
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.743012516279023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.136330134733492
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.950554738132934E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
4.120996904043421E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.185038399465946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.656272034291758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.120768339022964
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.108461233666551
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.743012516279023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.136330134733492
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.950554738132934E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
4.120996904043421E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.185038399465946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.656272034291758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.120768339022964
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.108461233666551
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.177571781308555
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.260689572124349
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.936174107762869E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.141411798388423
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.046345250914695E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.100212653188184
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.344276155641949E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.064996853645965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.177571781308555
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.260689572124349
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.936174107762869E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.141411798388423
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.046345250914695E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.100212653188184
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.344276155641949E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.064996853645965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.084701169794817E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.488490140892912E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-8.132294677489528E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.174192251288319
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.230949594797623
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.538278391171779E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.125904200987838
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.376953115602550E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.084701169794817E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.488490140892912E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-8.132294677489528E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.174192251288319
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.230949594797623
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.538278391171779E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.125904200987838
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.376953115602550E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.161610436458150E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.376931125094880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.059799275925363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.838598202778857E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.066287142013927E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.619109382815699E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.310558570839864E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-5.086208127724878E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.161610436458150E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.376931125094880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.059799275925363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.838598202778857E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.066287142013927E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.619109382815699E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.310558570839864E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-5.086208127724878E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.260481014180175
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.161006335575641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.125172063975597
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.996714372181019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.357351064786811
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.436760568433753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.725359625408567E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.672460660905525E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.260481014180175
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.161006335575641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.125172063975597
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.996714372181019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.357351064786811
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.436760568433753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.725359625408567E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.672460660905525E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.282581791226996E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.476884023125440E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.137247275545284
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.269132530311967E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.136812782540945E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.804400157032721E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.256216296198597E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.113616898371006
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.282581791226996E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.476884023125440E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.137247275545284
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.269132530311967E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.136812782540945E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.804400157032721E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.256216296198597E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.113616898371006
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.133452312660901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.676876619776090E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-6.587525913630680E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.041006947044917E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.802718099043065E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
8.632517374917988E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.214224090230527E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
6.742290186192771E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.133452312660901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.676876619776090E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-6.587525913630680E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.041006947044917E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.802718099043065E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
8.632517374917988E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.214224090230527E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
6.742290186192771E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.888401024653381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.164631621483698E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.019705074471598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.104437787872067E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-7.183654669418521E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.146685005950909E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.261568951862717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.128109978207323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.888401024653381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.164631621483698E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.019705074471598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.104437787872067E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-7.183654669418521E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.146685005950909E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.261568951862717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.128109978207323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.040410697694133E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.095704590863115E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.776746999220587E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.202488727868033E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.269111233586078E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.576882144631762E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.030614639110598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.040410697694133E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.095704590863115E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.776746999220587E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.202488727868033E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.269111233586078E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.576882144631762E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.030614639110598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.739372153472437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.248579323701447
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.739372153472437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.248579323701447
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.849407224155897E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.776563104625612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.849407224155897E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.776563104625612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.250140073248202E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.149184050704296
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.250140073248202E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.149184050704296
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.502824650589257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.994707897725344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.502824650589257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.994707897725344E-002
DAV: 39 -0.279443639565E+04 0.86793E+03 -0.23025E+04 102 0.307E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 44.26206 new 47.88673
0.959E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.724733061454788E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.541151334609638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.273612461900413
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.300571586027891
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.252079113183750
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.544595904937413
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.439694647366509
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.120492446279750
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.724733061454788E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.541151334609638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.273612461900413
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.300571586027891
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.252079113183750
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.544595904937413
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.439694647366509
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.120492446279750
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.497217514191896E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.230104480368549
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.115116647012239
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.467933410746704
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.433036844499630E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.846240394129036E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-5.014962778258077E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.110471301042992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.497217514191896E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.230104480368549
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.115116647012239
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.467933410746704
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.433036844499630E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.846240394129036E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-5.014962778258077E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.110471301042992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.511817595763377E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.135183413711331E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.921401409512158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.208042950329664
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.056063284209174E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.153344511608828E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.357596506855287E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.822582567924256E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.511817595763377E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.135183413711331E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.921401409512158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.208042950329664
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.056063284209174E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.153344511608828E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.357596506855287E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.822582567924256E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.316842305540362E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.636932935440413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-8.143973041469642E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.391853282832551E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-3.313067601801727E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.237028288251524
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.408644703014135E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-4.739093298847172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.316842305540362E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.636932935440413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-8.143973041469642E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.391853282832551E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-3.313067601801727E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.237028288251524
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.408644703014135E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-4.739093298847172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
3.373917202062884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.805711465629068E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.941375753450415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.819172944584107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.979935721311066E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.414968248853881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.310635041468584E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.661318251049693E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
3.373917202062884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.805711465629068E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.941375753450415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.819172944584107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.979935721311066E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.414968248853881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.310635041468584E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.661318251049693E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.965273849961406E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.663728731378027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.242350806076847E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.064228364765740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.182170587951938
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.294434959124675
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.431558926125727E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.057682440700231E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.965273849961406E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.663728731378027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.242350806076847E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.064228364765740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.182170587951938
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.294434959124675
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.431558926125727E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.057682440700231E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.230068836097805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.968174701253717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.871943993466247E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.168350712172908
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.217256272224560
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.153591037715604
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.245915170387939E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.241183949016161
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.230068836097805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.968174701253717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.871943993466247E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.168350712172908
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.217256272224560
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.153591037715604
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.245915170387939E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.241183949016161
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
6.395310326619666E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.522057176336993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.116832217420380
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
7.921987908537848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.801693568098294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.154376209324048
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.861051151876466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.631435598899346E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
6.395310326619666E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.522057176336993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.116832217420380
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
7.921987908537848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.801693568098294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.154376209324048
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.861051151876466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.631435598899346E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.330260611589609E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.227039269890132E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.170698826997400E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.734171377692954E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.212503613060497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.501144457000271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.149965309424330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.126090456075091E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.330260611589609E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.227039269890132E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.170698826997400E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.734171377692954E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.212503613060497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.501144457000271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.149965309424330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.126090456075091E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
6.693478667680824E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
6.674303750499283E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.624019898167157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.231796099109157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.684127493388619E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.626172206680604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.278856334999426E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.024622000717527E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
6.693478667680824E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
6.674303750499283E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.624019898167157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.231796099109157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.684127493388619E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.626172206680604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.278856334999426E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.024622000717527E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.849018379385107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.104355238184422
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.288287204421475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.124806742053428E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.622635993460502E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.158674367864033
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.462907660503651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.124035803560966
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.849018379385107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.104355238184422
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.288287204421475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.124806742053428E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.622635993460502E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.158674367864033
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.462907660503651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.124035803560966
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.268805025318307
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
5.076033941879853E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.406197572801409E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.611616795408660E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
7.488602390224659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.897013281599955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.167993571943005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.146922067644799
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.268805025318307
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
5.076033941879853E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.406197572801409E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.611616795408660E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
7.488602390224659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.897013281599955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.167993571943005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.146922067644799
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.316048780690213E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.383308341237302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.419383320390440E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-5.890272058624437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.645912565347743E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.336188547398715E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.202081453747531E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.112557441381211
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.316048780690213E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.383308341237302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.419383320390440E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-5.890272058624437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.645912565347743E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.336188547398715E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.202081453747531E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.112557441381211
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.247404719720443E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.324704812072575E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
9.255919722179753E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.746316694525139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-7.201412335449839E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.020681125086259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.172512654777319E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.935355833398422E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.247404719720443E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.324704812072575E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
9.255919722179753E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.746316694525139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-7.201412335449839E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.020681125086259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.172512654777319E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.935355833398422E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.493694844005445E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.128437199896224E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.455251389505654E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.702678681058310E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.514638709353428E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.250534589911080E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
9.927952178560039E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.595545072105273E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.493694844005445E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.128437199896224E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.455251389505654E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.702678681058310E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.514638709353428E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.250534589911080E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
9.927952178560039E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.595545072105273E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.896673350163696E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.952940027936271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.087325789231596E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.146481175236793E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.149673194495294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.337312156666394E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.084338024916348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.409027663510007E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.896673350163696E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.952940027936271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.087325789231596E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.146481175236793E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.149673194495294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.337312156666394E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.084338024916348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.409027663510007E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.101052552873970
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.768429932373097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.426827086360977
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.486083067738548E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.227151854100392
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.829632840938081E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-9.725399826110333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.645387620026008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.101052552873970
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.768429932373097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.426827086360977
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.486083067738548E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.227151854100392
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.829632840938081E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-9.725399826110333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.645387620026008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.781241228876835E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
9.614672572730442E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.159625616593880
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.367764419950891E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.254263349928599
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.128347417009245
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.576900508856353E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.623891855869087E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.781241228876835E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
9.614672572730442E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.159625616593880
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.367764419950891E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.254263349928599
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.128347417009245
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.576900508856353E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.623891855869087E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
7.496248058750879E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.409372235043799E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.122899652766760
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.665706402917377E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.826066328688529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.322273168917412E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.557259799669642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.623525017412049E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
7.496248058750879E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.409372235043799E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.122899652766760
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.665706402917377E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.826066328688529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.322273168917412E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.557259799669642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.623525017412049E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
5.185458287188797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.770680644011927E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.976139113358726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-7.145259185733777E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.980953376543335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.742033634138690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.415388411359133E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.898839513639343E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
5.185458287188797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.770680644011927E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.976139113358726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-7.145259185733777E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.980953376543335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.742033634138690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.415388411359133E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.898839513639343E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.204361419982256
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.469284908439066
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.204361419982256
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.469284908439066
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
7.954337359045022E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.551505700670558E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
7.954337359045022E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.551505700670558E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.532266907105324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.314714886916382
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.532266907105324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.314714886916382
DAV: 40 -0.372317059259E+04 -0.92873E+03 -0.30645E+04 132 0.235E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 47.88673 new 48.83930
0.147E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.617072827378108
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.680835079646827E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.912498194575844E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.274836237172258
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.284199941995558
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.005694253339110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.211769081143657E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.377416246577179
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.617072827378108
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.680835079646827E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.912498194575844E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.274836237172258
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.284199941995558
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.005694253339110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.211769081143657E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.377416246577179
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.940487582378538E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.231422412394131
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.708300754884805E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.404302782869730
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.108087166462716
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.817656243833437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.185518291704974
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.528141799623104
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.940487582378538E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.231422412394131
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.708300754884805E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.404302782869730
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.108087166462716
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.817656243833437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.185518291704974
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.528141799623104
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.042580276491282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.467780443875797
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.750588244711452E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.130781484512594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.300097202844176E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.196420440471601
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.535027997925194E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.339445899816555
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.042580276491282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.467780443875797
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.750588244711452E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.130781484512594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.300097202844176E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.196420440471601
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.535027997925194E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.339445899816555
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
9.827903265509122E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-4.055915784614549E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.357912065681652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.173249636078098
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.100957564973481
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.544343551606405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.973300052578808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.119593648556858
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
9.827903265509122E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-4.055915784614549E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.357912065681652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.173249636078098
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.100957564973481
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.544343551606405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.973300052578808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.119593648556858
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.146340146839661
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.676901583677259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.426954991567972
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.325931189230847E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-7.802231329080581E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
5.031849594303854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.682499848655653E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.290384602635667E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.146340146839661
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.676901583677259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.426954991567972
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.325931189230847E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-7.802231329080581E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
5.031849594303854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.682499848655653E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.290384602635667E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.006230476343902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.827342058330376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.476015022030870
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.210421194572087
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.570826390242449E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-6.523290295113927E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.077325310871315E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.703842071888312E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.006230476343902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.827342058330376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.476015022030870
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.210421194572087
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.570826390242449E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-6.523290295113927E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.077325310871315E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.703842071888312E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-7.786634834175733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.761297587385318E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.277511616903308
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.120870099562435
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.892093694169419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.923589981387653E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.063883621544557E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.246781776668571E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-7.786634834175733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.761297587385318E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.277511616903308
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.120870099562435
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.892093694169419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.923589981387653E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.063883621544557E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.246781776668571E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.139838912559435E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.569739814061946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.115276810417022
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.313084378184280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.370489372576961E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.040936370379959E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.557377930726986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.147928740300215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.139838912559435E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.569739814061946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.115276810417022
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.313084378184280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.370489372576961E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.040936370379959E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.557377930726986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.147928740300215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.525783221991837
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.747677516491633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.269755372289543E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.102878549489811
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.187975783974349
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.144484341408370
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.139562931159648
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.234781709731591
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.525783221991837
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.747677516491633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.269755372289543E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.102878549489811
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.187975783974349
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.144484341408370
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.139562931159648
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.234781709731591
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.735173460571198E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.465725328229673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.138594777478042E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.109042970811570
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.132810868727883
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.187499360985986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.133929590874905
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.636252817497203E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.735173460571198E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.465725328229673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.138594777478042E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.109042970811570
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.132810868727883
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.187499360985986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.133929590874905
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.636252817497203E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.042148805062593E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.074326869281992E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.637325781785065E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.126837482237080
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.106986821214388
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.654788721227642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.263476914085980E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.972013036459780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.042148805062593E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.074326869281992E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.637325781785065E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.126837482237080
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.106986821214388
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.654788721227642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.263476914085980E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.972013036459780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.113467065477503
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.415594580909502E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.121957302066019
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-9.668857114048064E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-9.348559302498186E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-7.110871103676827E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-6.898248490431028E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.201408460678439
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.113467065477503
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.415594580909502E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.121957302066019
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-9.668857114048064E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-9.348559302498186E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-7.110871103676827E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-6.898248490431028E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.201408460678439
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.466958360344137
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
8.561925181512654E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-4.445588906920737E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.223335061771333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.178093015465591
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.716678065873272E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.024291383193110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.585415616986418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.466958360344137
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
8.561925181512654E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-4.445588906920737E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.223335061771333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.178093015465591
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.716678065873272E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.024291383193110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.585415616986418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.225111312342299E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.866921869774764E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.118779088610954
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.095588770816383E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.415837088275570E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.105610023775124E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.108738389102638
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.004861146557917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.225111312342299E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.866921869774764E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.118779088610954
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.095588770816383E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.415837088275570E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.105610023775124E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.108738389102638
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.004861146557917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.426674146298830E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.874184061160308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
8.356060293368459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-7.947844253913659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.640408469745301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-9.594060558383138E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.314532254335877E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.644470945308061E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.426674146298830E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.874184061160308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
8.356060293368459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-7.947844253913659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.640408469745301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-9.594060558383138E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.314532254335877E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.644470945308061E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.376544105174965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.223300818869178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.800402697373284E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.742474157840933E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-5.444220418528343E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-5.227845102261866E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.971000643949136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.151115137683922E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.376544105174965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.223300818869178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.800402697373284E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.742474157840933E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-5.444220418528343E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-5.227845102261866E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.971000643949136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.151115137683922E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.029356577407468E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.384153201882047E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.029356577407468E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.384153201882047E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.173454202229908
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.116525335407994
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.173454202229908
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.116525335407994
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.404342719079745E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.603291079170236E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.404342719079745E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.603291079170236E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.850771308976525E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.106581911247063
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.850771308976525E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.106581911247063
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.994366848676760E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.707989404684288E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.994366848676760E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.707989404684288E-002
DAV: 41 -0.434915682316E+04 -0.62599E+03 -0.13142E+04 104 0.317E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 48.83930 new 44.81536
0.143E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.113588240235255
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.492422676957882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.977810913606387E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.135715085424508
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.211198452044241
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.811902085213688
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.403694233042752
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.724183524786523
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.113588240235255
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.492422676957882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.977810913606387E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.135715085424508
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.211198452044241
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.811902085213688
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.403694233042752
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.724183524786523
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.787316286475179E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.300956678503888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.486247509067375E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.546469695910228
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
2.211389802343264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.154693333295291E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.377659441581206E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.122627720055229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.787316286475179E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.300956678503888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.486247509067375E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.546469695910228
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
2.211389802343264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.154693333295291E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.377659441581206E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.122627720055229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.518404620203227E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
6.400764289088354E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.325498799824102E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.582238013909648
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.852078514556620E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.319831017276355
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.625174879901804
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-5.658565950576816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.518404620203227E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
6.400764289088354E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.325498799824102E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.582238013909648
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.852078514556620E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.319831017276355
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.625174879901804
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-5.658565950576816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.672668372695884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.206935816202757
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.140804920154263E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.441851203846225
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.531917490403017E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.311900779041827
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.423687663255682E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-7.723104458768419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.672668372695884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.206935816202757
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.140804920154263E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.441851203846225
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.531917490403017E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.311900779041827
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.423687663255682E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-7.723104458768419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.639307204115035E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.273182884044293
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.574014112789259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.324750713581590
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.292605392185641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.204919822554259
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.250011143353485
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.614890564878027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.639307204115035E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.273182884044293
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.574014112789259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.324750713581590
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.292605392185641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.204919822554259
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.250011143353485
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.614890564878027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.279082232712612
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.429407776465872
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.344435102091362
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.375788456342127E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.185858618498427E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.226497135963760
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.03764618882545
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-9.944013589382897E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.279082232712612
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.429407776465872
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.344435102091362
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.375788456342127E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.185858618498427E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.226497135963760
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.03764618882545
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-9.944013589382897E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.163944934574957
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.386093282075630
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.969794602561020E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.635291713124459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.168651710670334
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.445629710767686E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.158493403177034E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.258241651907617
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.163944934574957
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.386093282075630
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.969794602561020E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.635291713124459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.168651710670334
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.445629710767686E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.158493403177034E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.258241651907617
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.162951907963203
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.491465183207331
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.790180437659752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.123372930822451
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.747316185958165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.682601121760040E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.111813078602597E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
6.909408395961975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.162951907963203
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.491465183207331
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.790180437659752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.123372930822451
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.747316185958165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.682601121760040E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.111813078602597E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
6.909408395961975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.823484586306936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.188663075179340
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
8.753545940837529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-7.306810788869274E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.845823864883488E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
7.620842498382642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.013633448184225E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.492318132714375E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.823484586306936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.188663075179340
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
8.753545940837529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-7.306810788869274E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.845823864883488E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
7.620842498382642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.013633448184225E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.492318132714375E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.366879201095137E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-6.737191419006839E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.315680808138802E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-3.935790460561453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.126948411491462E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.863456797552948E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.951755992559600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.602004312446492E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.366879201095137E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-6.737191419006839E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.315680808138802E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-3.935790460561453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.126948411491462E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.863456797552948E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.951755992559600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.602004312446492E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.596581336862010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.212337087835405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.169976988166390
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.091368710933358E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.342701636029684
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.174440032294312
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.148670129846601
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.844026909311866E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.596581336862010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.212337087835405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.169976988166390
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.091368710933358E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.342701636029684
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.174440032294312
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.148670129846601
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.844026909311866E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.453770881756934
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.459742356939663E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.115485603739290
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.110757169796048
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.364964038360331
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.269759504016488
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.276687736220765
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.135942203102273
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.453770881756934
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.459742356939663E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.115485603739290
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.110757169796048
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.364964038360331
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.269759504016488
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.276687736220765
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.135942203102273
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.425163187663646E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.373058051111324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-6.372336783980385E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
6.769535277351368E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.118351507141883
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
9.478146724978546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.156577649775676
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.606442902852994E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.425163187663646E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.373058051111324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-6.372336783980385E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
6.769535277351368E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.118351507141883
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
9.478146724978546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.156577649775676
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.606442902852994E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.841032084113628E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.666260820210415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-6.396465190427750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.669555787333706E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-9.648306592183846E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.034214112727747E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.344973837439434E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-3.924346777452720E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.841032084113628E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.666260820210415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-6.396465190427750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.669555787333706E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-9.648306592183846E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.034214112727747E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.344973837439434E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-3.924346777452720E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-5.748796629162302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.674487353585275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.979483345412641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.076437674219876E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.438196606643909E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.512307670136462E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-4.845052064296158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.050316595730787E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-5.748796629162302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.674487353585275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.979483345412641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.076437674219876E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.438196606643909E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.512307670136462E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-4.845052064296158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.050316595730787E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.271485624182636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.666754591788048E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
5.210785340482716E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.602054320715676E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.919230682281712E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.213052456253434
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.129972410608069
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.212995914872624
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.271485624182636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.666754591788048E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
5.210785340482716E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.602054320715676E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.919230682281712E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.213052456253434
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.129972410608069
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.212995914872624
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.461892768365931E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.220133533242311
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.559128628483784E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.117764287133131
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.154201005647750
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.672172593969619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.372201311312837
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.341568222556151
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.461892768365931E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.220133533242311
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.559128628483784E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.117764287133131
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.154201005647750
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.672172593969619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.372201311312837
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.341568222556151
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.173603105614917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.336871015814940E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-5.584315058348834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.166949324793847
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.119781872586170
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-4.640073272020635E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.752513766906290
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.132221997973927
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.173603105614917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.336871015814940E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-5.584315058348834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.166949324793847
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.119781872586170
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-4.640073272020635E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.752513766906290
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.132221997973927
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.120041023038849
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.523312850244562E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.332893154766848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-7.574714386141124E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.293303170436143E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.988026425558812E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.428405952700769
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.736223648314349E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.120041023038849
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.523312850244562E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.332893154766848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-7.574714386141124E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.293303170436143E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.988026425558812E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.428405952700769
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.736223648314349E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.107306069051323
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.922475831597941E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-8.448743019869989E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.939169140472729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.306252780578673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.303625857508176E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.177235675219702
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.072766488389050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.107306069051323
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.922475831597941E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-8.448743019869989E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.939169140472729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.306252780578673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.303625857508176E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.177235675219702
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.072766488389050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.104897658660248
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.548146071385116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.104897658660248
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.548146071385116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.910627365964573
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.188958555905176
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.910627365964573
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.188958555905176
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.376979504461873
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.829128278675857E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.376979504461873
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.829128278675857E-003
DAV: 42 -0.831628226067E+04 -0.39671E+04 -0.65924E+04 132 0.286E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 44.81536 new 46.96934
0.292E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.122840819719127
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.904404409532726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.428652507426247E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.197951784785283
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.305032820099140
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.291721623649425
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.011840370107598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-8.180003216429060E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.122840819719127
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.904404409532726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.428652507426247E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.197951784785283
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.305032820099140
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.291721623649425
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.011840370107598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-8.180003216429060E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.965101880298231E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.114656205454504
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.116942187310504
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.596964869576850
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.128343595659923
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.392700765455917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.283060508125541
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.265806722980183
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.965101880298231E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.114656205454504
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.116942187310504
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.596964869576850
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.128343595659923
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.392700765455917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.283060508125541
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.265806722980183
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.227906530182992
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.140442476696445
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.681982664517941E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.351526341799973
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.121012994283600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.257914853733888
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.522514992499094
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.433644923455587
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.227906530182992
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.140442476696445
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.681982664517941E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.351526341799973
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.121012994283600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.257914853733888
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.522514992499094
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.433644923455587
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.176408498379695
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.441219416554106
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.465929366393572E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.165952569738967
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.171825192416651
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.171362687654800
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.07161173555059
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.495923315166348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.176408498379695
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.441219416554106
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.465929366393572E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.165952569738967
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.171825192416651
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.171362687654800
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.07161173555059
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.495923315166348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.027689442883149E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.465282833095845
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.133079915242253
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.189524780285962
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.188857243557444E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.103463070982715
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.179343123037560
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.820003900716010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.027689442883149E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.465282833095845
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.133079915242253
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.189524780285962
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.188857243557444E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.103463070982715
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.179343123037560
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.820003900716010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.617982591091874E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.134799999776084
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.146274690684912
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.270183796698182
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.103433316113883
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.297744776131359
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.784974047497045E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.145704351416767E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.617982591091874E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.134799999776084
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.146274690684912
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.270183796698182
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.103433316113883
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.297744776131359
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.784974047497045E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.145704351416767E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.288115722486104E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.490255784418832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.218820591559895E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.144987711901428
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.118115731227572
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
8.410932108495907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-8.012191484632973E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.224132291955344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.288115722486104E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.490255784418832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.218820591559895E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.144987711901428
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.118115731227572
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
8.410932108495907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-8.012191484632973E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.224132291955344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.120965984454239
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.814697523734265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.446435920493428E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
8.871541219756947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.235905002511309E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.153620337398947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-5.985583620022427E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.441568159431180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.120965984454239
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.814697523734265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.446435920493428E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
8.871541219756947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.235905002511309E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.153620337398947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-5.985583620022427E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.441568159431180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.100748444452662
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.320014860138215
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.266456548185537E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.225378619593062
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
3.904848768919539E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.079702458034676E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-8.959396390787464E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.220106835069446
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.100748444452662
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.320014860138215
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.266456548185537E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.225378619593062
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
3.904848768919539E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.079702458034676E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-8.959396390787464E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.220106835069446
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.954830426792326E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.114084916514005
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.164693872752378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.022399732206559E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.782273971321794E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.123535317584559
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.166883374159638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.362332891659147E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.954830426792326E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.114084916514005
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.164693872752378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.022399732206559E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.782273971321794E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.123535317584559
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.166883374159638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.362332891659147E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.495068138217443E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
9.122576156158896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.144237732257004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.102581287326642
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.778251605159694E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.544336825767219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.450811772134086E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.251367382028522E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.495068138217443E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
9.122576156158896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.144237732257004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.102581287326642
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.778251605159694E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.544336825767219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.450811772134086E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.251367382028522E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.804200213038686E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.143912078262703
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.868259582646114E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-5.029733090903658E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.593062429695736E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.114514411722398
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
9.432804112380084E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.941560516229190E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.804200213038686E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.143912078262703
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.868259582646114E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-5.029733090903658E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.593062429695736E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.114514411722398
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
9.432804112380084E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.941560516229190E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.689246761863332E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
8.410880441319638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.744752405680164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.156141080720164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.901785989900480E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.716680338893165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.451075561486658E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.606931962407854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.689246761863332E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
8.410880441319638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.744752405680164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.156141080720164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.901785989900480E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.716680338893165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.451075561486658E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.606931962407854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.897881312659483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.198563172533460
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.207061978425503E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.133675029370738
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.162482415601407
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.100789493227445
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.568983327233221
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.236401095459142
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.897881312659483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.198563172533460
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.207061978425503E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.133675029370738
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.162482415601407
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.100789493227445
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.568983327233221
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.236401095459142
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
9.814817934156355E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.227522458977500
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.917166233981680E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.140199558866626E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.118986174857228
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.402881491057750
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.383109005560034
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.857877812070407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
9.814817934156355E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.227522458977500
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.917166233981680E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.140199558866626E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.118986174857228
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.402881491057750
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.383109005560034
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.857877812070407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.391927928399323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.270035487254611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.351440502418429E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.118444921583976
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.194819903027478E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.221229698638642
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.363559103421915
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.628256774729812E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.391927928399323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.270035487254611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.351440502418429E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.118444921583976
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.194819903027478E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.221229698638642
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.363559103421915
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.628256774729812E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.181076047081318E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.153743722644531
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.181076047081318E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.153743722644531
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.141045644745185
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.151730637412512
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.141045644745185
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.151730637412512
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.170668061711383
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.884246495469931E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.170668061711383
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.884246495469931E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.556759493489644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.296288988851760E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.556759493489644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.296288988851760E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.683332888975561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.302805983883855E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.683332888975561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.302805983883855E-003
DAV: 43 -0.694762328854E+04 0.13687E+04 -0.67128E+04 104 0.363E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.96934 new 44.20241
0.120E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.939406696501589E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.157986712088618
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.271852890310908
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.725236697518546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.362437571414317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.119801996419382
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-6.802306933860169E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.386563187209947
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.939406696501589E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.157986712088618
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.271852890310908
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.725236697518546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.362437571414317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.119801996419382
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-6.802306933860169E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.386563187209947
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.138165773445264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.163178360668875
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.247752120576480
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
5.140492116192395E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.314578877344471
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.298035957960804E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.216230543557915E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.258899240654184
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.138165773445264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.163178360668875
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.247752120576480
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
5.140492116192395E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.314578877344471
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.298035957960804E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.216230543557915E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.258899240654184
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.575080063864854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.310999105214770
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.695554278253808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.184926303886624E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.132899035604024
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
9.616240974419510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.119538981592346
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.139604949604483
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.575080063864854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.310999105214770
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.695554278253808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.184926303886624E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.132899035604024
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
9.616240974419510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.119538981592346
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.139604949604483
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.742569053010872
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.801686849579580E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.146365330000950
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.749261422609161E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.397478275074294
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.115292009866236
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.219129380125793
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.194647838783852
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.742569053010872
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.801686849579580E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.146365330000950
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.749261422609161E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.397478275074294
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.115292009866236
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.219129380125793
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.194647838783852
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.337323877807774
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.380112797086959
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.146133394404390E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.555138298806631E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.268474239468024
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.157512434485571
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.286850053542209
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.156066199071723
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.337323877807774
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.380112797086959
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.146133394404390E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.555138298806631E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.268474239468024
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.157512434485571
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.286850053542209
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.156066199071723
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.153603481592938
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.329784535213042E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.977864716192811E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.787964843727394E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.457739251359057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.414160368044493E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.520777845466758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.914048690166749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.153603481592938
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.329784535213042E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.977864716192811E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.787964843727394E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.457739251359057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.414160368044493E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.520777845466758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.914048690166749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.216725913940419
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.095648762039613E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.139526965578692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.812475224903475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.873963381387625E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-6.526282629008106E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.405976867723424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.645346964937555E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.216725913940419
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.095648762039613E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.139526965578692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.812475224903475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.873963381387625E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-6.526282629008106E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.405976867723424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.645346964937555E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
5.824779220056645E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.312870202409306E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.482890201850857E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
6.656084519990549E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.932463477171487E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.641050130348296E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.332671620238192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.347626455656109E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
5.824779220056645E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.312870202409306E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.482890201850857E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
6.656084519990549E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.932463477171487E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
4.641050130348296E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.332671620238192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.347626455656109E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
6.258016044975351E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.173096327947044
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.998950764756891E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.743414306524453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.105890411712647
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.315227902441530E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.200631722795484
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.259105511307320
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
6.258016044975351E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.173096327947044
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.998950764756891E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.743414306524453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.105890411712647
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.315227902441530E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.200631722795484
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.259105511307320
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.145534035488563
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.153264429583721
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-4.125442729808313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.435150123269101E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.519591351499139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.147573023611716
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.111991705349113
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.188603545585428
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.145534035488563
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.153264429583721
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-4.125442729808313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.435150123269101E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.519591351499139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.147573023611716
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.111991705349113
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.188603545585428
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.503077006785576E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
6.720820512928107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.709244002382813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.755150249711219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.715206337875882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.140602733072558E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.719311840785384E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.422505638492767E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.503077006785576E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
6.720820512928107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.709244002382813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.755150249711219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.715206337875882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.140602733072558E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.719311840785384E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.422505638492767E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.787988209059259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.207146930624668
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.022214826867970E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.966055907197688E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-4.144425769188604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.185400131289939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.211646750602790
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.108617491738232
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.787988209059259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.207146930624668
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.022214826867970E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.966055907197688E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-4.144425769188604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.185400131289939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.211646750602790
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.108617491738232
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.048423486447252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.143721862898725
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.997999544477917E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.133579760405770
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
9.756348804397148E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.336778860668016E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.139460109805842
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.127843933078472E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.048423486447252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.143721862898725
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.997999544477917E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.133579760405770
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
9.756348804397148E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.336778860668016E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.139460109805842
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.127843933078472E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.216496315034901E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.605246442858825E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.337970175429786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.789389610014465E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.778376632249900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.522606352183898E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.102708986791368E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.274771495123837E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.216496315034901E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.605246442858825E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.337970175429786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.789389610014465E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.778376632249900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.522606352183898E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.102708986791368E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.274771495123837E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.333950066007433E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.464068083533937E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.414529528881850E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.086216136919109E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-3.267110234255935E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.440520106232271E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-4.091449632366231E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.333950066007433E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.464068083533937E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.414529528881850E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.086216136919109E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-3.267110234255935E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.440520106232271E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-4.091449632366231E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.396749267777702E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.442549572477056E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.404578947334682E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.070961557986454E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.637099528320582E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.048379890762465E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.591748918044241E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.396749267777702E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.442549572477056E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.404578947334682E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.070961557986454E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.637099528320582E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.048379890762465E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.591748918044241E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.165584612700056
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.230585248170267
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.165584612700056
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.230585248170267
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.167593982400420E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.081343140367911E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.167593982400420E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.081343140367911E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.116057086472385
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.574234174806568E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.116057086472385
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.574234174806568E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.730224548884233E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.554108550645223E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.730224548884233E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.554108550645223E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.787755512233862E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.674480638567066E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.787755512233862E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.674480638567066E-003
DAV: 44 -0.132613499314E+04 0.56215E+04 -0.90715E+03 104 0.298E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 44.20241 new 49.28432
0.122E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.431266654600468
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.132987043204976
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.122216383743763
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.236203099912730E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.784441754034945E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.292542342300775
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.844513606304056
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.347854191381885
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.431266654600468
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.132987043204976
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.122216383743763
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.236203099912730E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.784441754034945E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.292542342300775
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.844513606304056
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.347854191381885
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.114892427999786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.833006896432455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.139200727059935
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.070653303119043E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.706645366620060E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.756465765044579E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.126481418209737
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.991180794947729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.114892427999786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.833006896432455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.139200727059935
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.070653303119043E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.706645366620060E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.756465765044579E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.126481418209737
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.991180794947729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.731553999634597E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.505629447465202E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.907420944262267E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.020301242700250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.175808931612045
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.110117331160889
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.237268175210078E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.731553999634597E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.505629447465202E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.907420944262267E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.020301242700250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.175808931612045
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.110117331160889
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.237268175210078E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.458188625056469
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.563691838010072
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.271004796486497
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.841240066177083E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-8.416113591134841E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.110389408641072
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.912315516945054E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.284553647390553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.458188625056469
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.563691838010072
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.271004796486497
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.841240066177083E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-8.416113591134841E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.110389408641072
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.912315516945054E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.284553647390553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.100605852362818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.100331627065335
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.133271612449403
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.434651942925330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.753778443477529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.238970889116560E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.337393910816718E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.225424182741534
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.100605852362818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.100331627065335
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.133271612449403
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.434651942925330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.753778443477529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.238970889116560E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.337393910816718E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.225424182741534
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.406936030322109E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.122687778754176
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-5.260829479827989E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.616762038835977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.158711781097994
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.765019593658144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.090894925088112E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.712332151692650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.406936030322109E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.122687778754176
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-5.260829479827989E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.616762038835977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.158711781097994
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.765019593658144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.090894925088112E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.712332151692650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.713684811727196E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
8.788944411623858E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.225427460982855
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.184500214230619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.222038527190182
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.873745241151936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.101844334809113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.010755801990869E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.713684811727196E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
8.788944411623858E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.225427460982855
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.184500214230619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.222038527190182
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.873745241151936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.101844334809113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.010755801990869E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
8.771761001316383E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.172819582731173
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.330832663535573
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.933232706648045E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.309340577745718
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.123662024298907
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.130987275741007E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
8.771761001316383E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.172819582731173
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.330832663535573
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.933232706648045E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.309340577745718
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.123662024298907
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.130987275741007E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.523033348575246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.045720429192692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.337781905449008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.109564528175363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.284215043233491E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.456266387352683E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.191668658767245E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.043497371732808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.523033348575246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.045720429192692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.337781905449008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.109564528175363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.284215043233491E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.456266387352683E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.191668658767245E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.043497371732808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.557650988234264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.073680606231152E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.632839530258108E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.724565072549305E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.074076891825618E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.176394466826554E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-8.864004950728754E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.523860140809094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.557650988234264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.073680606231152E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.632839530258108E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.724565072549305E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.074076891825618E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.176394466826554E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-8.864004950728754E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.523860140809094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.894921197675763E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.050246946851239E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.546207938772752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.067578627330907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.649296674065116E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-7.007563817131151E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.248942349201263E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.852684995313820E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.894921197675763E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.050246946851239E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.546207938772752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.067578627330907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.649296674065116E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-7.007563817131151E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.248942349201263E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.852684995313820E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
8.568589481164643E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.944685382132457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.108297095390652
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.963815880825011E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.108057468432810E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.161660096257377
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.779879010415963E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-8.025814710175128E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
8.568589481164643E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.944685382132457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.108297095390652
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.963815880825011E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.108057468432810E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.161660096257377
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.779879010415963E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-8.025814710175128E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.256642931282274
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.020273026905996E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
7.150264391038245E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.274925421778979
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.249893518999266E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.588368511926904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.883664661369046E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.144286450140045
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.256642931282274
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.020273026905996E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
7.150264391038245E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.274925421778979
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.249893518999266E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.588368511926904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.883664661369046E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.144286450140045
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.230502926666594E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.497736870539748E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.701459514610391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.126348298536031
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.714211714957743E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.865883675252006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.192651272788644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.145671454577266
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.230502926666594E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.497736870539748E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.701459514610391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.126348298536031
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.714211714957743E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.865883675252006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.192651272788644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.145671454577266
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.041021068057516E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.440694200825055E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.960080467200969E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
5.890063273697018E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
5.415506361592080E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.920549943852795E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.510730527040800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.041021068057516E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.440694200825055E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.960080467200969E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
5.890063273697018E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
5.415506361592080E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.920549943852795E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.510730527040800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.605510119173650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.253803365591131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.917037321492816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-8.575281945380614E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.451199753907849E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.579002600739452E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.424753401743319E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.766244750634221E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.605510119173650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.253803365591131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.917037321492816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-8.575281945380614E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.451199753907849E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.579002600739452E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.424753401743319E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.766244750634221E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.837500839068716E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.123694301926875
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.837500839068716E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.123694301926875
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.074551352147125E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.305464742262979
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.074551352147125E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.305464742262979
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.111725501263553
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.144850411533743
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.111725501263553
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.144850411533743
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.133265347714792
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-6.218056376949093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.133265347714792
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-6.218056376949093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.115612393569089
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.406150578725308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.115612393569089
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.406150578725308E-002
DAV: 45 -0.329031087911E+04 -0.19642E+04 -0.13162E+04 104 0.236E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 49.28432 new 48.18880
0.143E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.132974280713760
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.564694360345418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.824648698228978E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
6.992188561211807E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.144350112122246
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.295582489829578E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
8.450444840530869E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.706534592375455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.132974280713760
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.564694360345418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.824648698228978E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
6.992188561211807E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.144350112122246
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.295582489829578E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
8.450444840530869E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.706534592375455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.291914363539960
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.190323706567262
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.311981157075911E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.106692360098655E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.240041765328060
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.514196515155617E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.260789850895884
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.170632982719717
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.291914363539960
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.190323706567262
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.311981157075911E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
3.106692360098655E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.240041765328060
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.514196515155617E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.260789850895884
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.170632982719717
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.569892939290501
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.156543778687369
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.174860594298727
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.465153426448818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.136547577210490
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.641645505295013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.220070149388896
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.285941905520090
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.569892939290501
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.156543778687369
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.174860594298727
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.465153426448818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.136547577210490
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.641645505295013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.220070149388896
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.285941905520090
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.444002830848016
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.283571167098391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.161861545771290
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.444629716550702E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.120491730351792
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.206465456691065E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.144722104958006
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.161644583673260
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.444002830848016
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.283571167098391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.161861545771290
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.444629716550702E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.120491730351792
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.206465456691065E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.144722104958006
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.161644583673260
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.372560756168606
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.236937489219524
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.338478914444082E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.687411298386006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
8.996744381952412E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.070536066588418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.701529993876983E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.942079810697220E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.372560756168606
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.236937489219524
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.338478914444082E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.687411298386006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
8.996744381952412E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.070536066588418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.701529993876983E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.942079810697220E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.135126437445290
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.23761108496614
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.341929878204465
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.368221754094016
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.101311912760764
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.305541322171867
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.736457959506086
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.325621200735875
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.135126437445290
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.23761108496614
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.341929878204465
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.368221754094016
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.101311912760764
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.305541322171867
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.736457959506086
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.325621200735875
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.509457961062647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.169736266368183
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.360435086886335
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.447599919858993
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.076159836054250E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.956963384935867E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.214313784538925
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.231903588390262
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.509457961062647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.169736266368183
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.360435086886335
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.447599919858993
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.076159836054250E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.956963384935867E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.214313784538925
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.231903588390262
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.153751742078566
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.70555003703121
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.544069779760785
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.691450849807178
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.711443649802003E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.182568322435548E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.782621936859275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.480777984312225E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.153751742078566
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.70555003703121
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.544069779760785
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.691450849807178
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.711443649802003E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.182568322435548E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.782621936859275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.480777984312225E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.206005032390226
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.953338886127103
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.21697202246025
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.330268082242952
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.038431265736439E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.711063195894954E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-4.556680494929038E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-7.584769307499867E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.206005032390226
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.953338886127103
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.21697202246025
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.330268082242952
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.038431265736439E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.711063195894954E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-4.556680494929038E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-7.584769307499867E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.165300364898804
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.87888040263215
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.23009568405545
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.209673614341233
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.357887944431986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.947022219561046E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.265628388992139E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-9.374806412292264E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.165300364898804
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.87888040263215
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.23009568405545
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.209673614341233
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.357887944431986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.947022219561046E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.265628388992139E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-9.374806412292264E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.344964026496822E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.061439114968983E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.134455878185609
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.123342100291311
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.272269725029953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.450148883516592E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.430082963177106E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.116204620926915
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.344964026496822E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.061439114968983E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.134455878185609
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.123342100291311
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.272269725029953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.450148883516592E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.430082963177106E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.116204620926915
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.131436491882207
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.773650053940690E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.494949488696164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.099035897677444E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.122178444978598
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.136376182675553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.544345251461607E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.762979102908762E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.131436491882207
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.773650053940690E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.494949488696164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.099035897677444E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.122178444978598
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.136376182675553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.544345251461607E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.762979102908762E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.691579503996959E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.162980002681612E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.737388903805862E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
2.269523286237752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.845493528941429E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.533344840806623E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.868782195057601E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.072827799217678E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.691579503996959E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.162980002681612E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.737388903805862E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
2.269523286237752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.845493528941429E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.533344840806623E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.868782195057601E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.072827799217678E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
9.804665223497700E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.871337441056602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.894255143211007E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.409316941371157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.556155607344066E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
3.678512498994943E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.306667949135259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.615194306285503E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
9.804665223497700E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.871337441056602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.894255143211007E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.409316941371157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.556155607344066E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
3.678512498994943E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.306667949135259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.615194306285503E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.891703247560459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.302979035222510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.534437260703008E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
7.109040187356118E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.308205355656476E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.263209726653717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.891703247560459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.302979035222510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.534437260703008E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
7.109040187356118E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.308205355656476E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.263209726653717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.140943922963872E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.459584395511000E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.807000839784545E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.199606585385804E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.162755841303289
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.959234083089512E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.984629163809120E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.009983229009651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.140943922963872E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.459584395511000E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.807000839784545E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.199606585385804E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.162755841303289
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.959234083089512E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.984629163809120E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.009983229009651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.127809879899023
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.262947601019268E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.151156935941597
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.205920410067817
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.502089137925953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.153996124400201E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.105364876411894
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.866599866925714E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.127809879899023
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.262947601019268E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.151156935941597
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.205920410067817
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.502089137925953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.153996124400201E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.105364876411894
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.866599866925714E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.042045657967201E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.534440830157818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.969871659686200E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.145598404650877E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.195692397134154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.820480769356729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.935955639034107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.482033565948335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.042045657967201E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.534440830157818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.969871659686200E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.145598404650877E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.195692397134154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.820480769356729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.935955639034107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.482033565948335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.660264304898258E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.461012957286629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
7.525651706475820E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.073161600634233E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.497865074590650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.514917787564585E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.465222088738771E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.530460255423803E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.660264304898258E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.461012957286629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
7.525651706475820E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.073161600634233E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.497865074590650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.514917787564585E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.465222088738771E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.530460255423803E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.112889310296860E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.166221294017541E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.398351080922910E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-3.557346177698564E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.966316083398407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-5.228852606941774E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.948378728250615E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.021218733303276E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.112889310296860E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.166221294017541E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.398351080922910E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-3.557346177698564E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.966316083398407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-5.228852606941774E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.948378728250615E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.021218733303276E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.173777915361417
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.193942185336511
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.173777915361417
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.193942185336511
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.429573025877480
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.474035017165386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.429573025877480
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.474035017165386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.243754352473733
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.965641702067708E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.243754352473733
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.965641702067708E-002
DAV: 46 -0.788392783347E+04 -0.45936E+04 -0.63820E+04 132 0.265E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 48.18880 new 47.73574
0.191E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.921635218307245E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.580941827286318E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.370771482317690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.187037350920298
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.121315285576117
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.123028394106978
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.133645111736849
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.218844406349360
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.921635218307245E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.580941827286318E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.370771482317690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.187037350920298
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.121315285576117
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.123028394106978
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.133645111736849
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.218844406349360
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.258303356696626
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.280341076333499
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.171151114183487
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.370406763867063
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.710397247871700E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.250211277655007
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.206339853885068
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.423327633771612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.258303356696626
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.280341076333499
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.171151114183487
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.370406763867063
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.710397247871700E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.250211277655007
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.206339853885068
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.423327633771612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.374151918095712
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.298085367084204
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.196595349845410
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.121983630954210
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.545461066478629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.243100877202367
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.235818058684497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.730436359297647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.374151918095712
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.298085367084204
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.196595349845410
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.121983630954210
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.545461066478629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.243100877202367
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.235818058684497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.730436359297647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.515392335509737E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.592298341265330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.615118720856063
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.418252214711232
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.139990880095675
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
9.967482563997862E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.058179748005045E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.530160260787015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.515392335509737E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.592298341265330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.615118720856063
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.418252214711232
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.139990880095675
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
9.967482563997862E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.058179748005045E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.530160260787015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.070286931194086E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.394096998777479E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.138731687329095
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.032755984373426E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.491271711642697E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
6.892575976869331E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.318100943214436E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.458828242534601E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.070286931194086E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.394096998777479E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.138731687329095
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.032755984373426E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.491271711642697E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
6.892575976869331E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.318100943214436E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.458828242534601E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.199747090951136
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.678099370798673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.763142395755419E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.105271081069477
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.116608139241879
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.397342171276926E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.739115215289946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.168491980447834
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.199747090951136
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.678099370798673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.763142395755419E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.105271081069477
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.116608139241879
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.397342171276926E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.739115215289946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.168491980447834
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.115761364365322
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.276548838228184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
7.859121529029650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-7.115364507002235E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.221967701836656E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.601714625577368E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.795365509835661E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.123399819486611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.115761364365322
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.276548838228184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
7.859121529029650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-7.115364507002235E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.221967701836656E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.601714625577368E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.795365509835661E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.123399819486611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.549693657786682
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-6.261263399583961E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.108550912090079
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.055681380700588E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.599609274012532E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-5.952918931395539E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-4.279867305511578E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.145593373502291E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.549693657786682
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-6.261263399583961E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.108550912090079
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.055681380700588E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.599609274012532E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-5.952918931395539E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-4.279867305511578E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.145593373502291E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.694259577204252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.303310795040048E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.192275086571286
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.205000641866440
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.243088165467946
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.863919135843962E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.143123942082781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.846272449312091E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.694259577204252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.303310795040048E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.192275086571286
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.205000641866440
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.243088165467946
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.863919135843962E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.143123942082781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.846272449312091E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.534037874582032E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.243778498713800
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.219687638384639
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-9.344071868786087E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.149204038242136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.629152593270208E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.566957807037236E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.179857977053641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.534037874582032E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.243778498713800
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.219687638384639
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-9.344071868786087E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.149204038242136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.629152593270208E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.566957807037236E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.179857977053641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.040419448897447E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.395366610082611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.161973357459488E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
6.261794887559348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.648416365959682E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.797703941268603E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.434946438279392E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-7.286718256425319E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.040419448897447E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.395366610082611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.161973357459488E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
6.261794887559348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.648416365959682E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.797703941268603E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.434946438279392E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-7.286718256425319E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.972876761849612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.177585867623793
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.124847444119914
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.431813084222479
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-4.206960503118864E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.324835693364651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.355040207651378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.103800936688617
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.972876761849612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.177585867623793
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.124847444119914
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.431813084222479
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-4.206960503118864E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.324835693364651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.355040207651378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.103800936688617
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.242323928877452
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.038946824064904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.134743011759512
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.275639406723050
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.026436571998626E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.181263647325771
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.475915813653303E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.148077534229402
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.242323928877452
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.038946824064904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.134743011759512
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.275639406723050
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.026436571998626E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.181263647325771
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.475915813653303E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.148077534229402
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.905024579032012E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.656951835344268E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.080350369144097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.102984369147722
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.444283257022114E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.144744055863013
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.130005861194123
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.220502514978558
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.905024579032012E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.656951835344268E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.080350369144097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.102984369147722
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.444283257022114E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.144744055863013
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.130005861194123
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.220502514978558
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.232219606900696E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.760210629401557E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-9.542780577551686E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-6.857615004928911E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.101602101190361
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.347394380704532
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.406892976677870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.243818627115075
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.232219606900696E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.760210629401557E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-9.542780577551686E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-6.857615004928911E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.101602101190361
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.347394380704532
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.406892976677870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.243818627115075
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-7.532240656588148E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.804018880664357E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-7.997424074258262E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.071582938176776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.102649684229375
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.508428059166373
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.731890826935722E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.188019362638295
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-7.532240656588148E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.804018880664357E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-7.997424074258262E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.071582938176776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.102649684229375
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.508428059166373
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.731890826935722E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.188019362638295
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.244591418980609
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.741303927664201
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.244591418980609
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.741303927664201
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.849160477336645E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.100916904585099
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.849160477336645E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.100916904585099
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.550252391800038E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.472533757894648E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.550252391800038E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.472533757894648E-002
DAV: 47 -0.389352804381E+04 0.39904E+04 -0.15512E+04 100 0.335E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 47.73574 new 43.67294
0.274E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.267903484956285
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.132169143001908
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.930311627322859E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.543925141798171E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
9.422203813479742E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
9.547001987334137E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.712300965643163E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.568546208102643
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.267903484956285
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.132169143001908
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.930311627322859E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.543925141798171E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
9.422203813479742E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
9.547001987334137E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.712300965643163E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.568546208102643
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.173130501746085
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.102406311177604
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.379867781842834
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.134431884991930
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.387990949984912
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-8.860616445422638E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.519293274466219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.574934720158923
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.173130501746085
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.102406311177604
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.379867781842834
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.134431884991930
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.387990949984912
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-8.860616445422638E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.519293274466219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.574934720158923
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.154571327624321
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.387499849283993
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.953530223604358E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.416176370282973
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.195721303771859
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.123477738578134
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.512638885187106E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.223027428201901
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.154571327624321
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.387499849283993
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.953530223604358E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.416176370282973
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.195721303771859
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.123477738578134
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.512638885187106E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.223027428201901
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.201247405165899
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.347503108089027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.620018371366808
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.677018126206833
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.864550724621723E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.179603440948801
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.694604522066463E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.121383133483308
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.201247405165899
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.347503108089027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.620018371366808
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.677018126206833
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.864550724621723E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.179603440948801
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.694604522066463E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.121383133483308
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.251342204957085
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
5.322640429326281E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.162310144142203
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.146819908182844
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.037921893526520E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.479512029947770E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.114699968281553
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.577914308545386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.251342204957085
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
5.322640429326281E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.162310144142203
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.146819908182844
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.037921893526520E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.479512029947770E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.114699968281553
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.577914308545386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.689130511006032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.643467124894192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.726102269971032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.288421989284058
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.089371785670228E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.164660190264230E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.632616153752402E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.412719765634649E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.689130511006032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.643467124894192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.726102269971032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.288421989284058
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.089371785670228E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.164660190264230E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.632616153752402E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.412719765634649E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.393850638453576
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
4.333652939315235E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.479197889914589
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
6.777640466906397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-8.601829128175759E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.098741424134354E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.169914461541946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.387137021337487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.393850638453576
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
4.333652939315235E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.479197889914589
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
6.777640466906397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-8.601829128175759E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.098741424134354E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.169914461541946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.387137021337487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.740146261523657E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.505315347899398E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.213242158015428
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.205905309235262
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.307278983137586E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.714231199401970E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.235992245652023E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.991442462544916E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.740146261523657E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.505315347899398E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.213242158015428
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.205905309235262
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.307278983137586E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.714231199401970E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.235992245652023E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.991442462544916E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.213426860272439
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.226242904207285
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.141804627817681
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.605930783685911E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.826620884618290E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.534220975231879E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-8.164487794792831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.184339163701061
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.213426860272439
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.226242904207285
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.141804627817681
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.605930783685911E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.826620884618290E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.534220975231879E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-8.164487794792831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.184339163701061
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.082034511410033E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.128273448021495
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.216578032459369
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.257867528808643
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.143706408586680
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.577594184190530E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.857232557157386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.277333358426887
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.082034511410033E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.128273448021495
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.216578032459369
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.257867528808643
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.143706408586680
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.577594184190530E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.857232557157386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.277333358426887
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.429081490223788E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.521424049166697E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.233457955348762E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.166440816158494
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.167508714109703
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.585399792052263E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.834770385785033E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.389313032822862E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.429081490223788E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.521424049166697E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.233457955348762E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.166440816158494
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.167508714109703
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.585399792052263E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.834770385785033E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.389313032822862E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.133046572356608
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-9.229838493852149E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.599656143847196
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
5.119908238867479E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.264366230042657E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.350213157431432E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.341426770670975
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.582579581489743
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.133046572356608
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-9.229838493852149E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.599656143847196
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
5.119908238867479E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.264366230042657E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.350213157431432E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.341426770670975
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.582579581489743
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.275175871551869
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.622945152721330
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.239231710962495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.10565940598252
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.596307358772468E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.369183621172541
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.585973065588799E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.099171293951428E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.275175871551869
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.622945152721330
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.239231710962495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.10565940598252
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.596307358772468E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.369183621172541
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.585973065588799E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.099171293951428E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.113064993746766
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.573313491785583
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.527138311561873E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.862871285597737
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.398879478554381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.06342326267920
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.372593424450149
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.552109148427098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.113064993746766
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.573313491785583
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.527138311561873E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.862871285597737
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.398879478554381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.06342326267920
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.372593424450149
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.552109148427098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.103888215479291E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.194150826621790
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.529649922138697E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.441818807909492
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
5.381327105639432E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.18515839865577
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.11769684871996
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-4.889426917312707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.103888215479291E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.194150826621790
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.529649922138697E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.441818807909492
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
5.381327105639432E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.18515839865577
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.11769684871996
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-4.889426917312707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.980974559749448E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-4.580140934478977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.853480153495760E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.188523392986962
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.631261069361148E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.11280576215494
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.15101481406247
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.256657875843252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.980974559749448E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-4.580140934478977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.853480153495760E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.188523392986962
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.631261069361148E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.11280576215494
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.15101481406247
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.256657875843252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
9.201155725535466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.193098817660610
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
9.201155725535466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.193098817660610
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.064211838297426E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.612369098091808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.064211838297426E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.612369098091808E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.347659962254587E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.630934173309422E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.347659962254587E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.630934173309422E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.538537692914341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.815167397093419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.538537692914341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.815167397093419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.945298964620620E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.482244613447580E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.945298964620620E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.482244613447580E-003
DAV: 48 -0.683051465360E+04 -0.29370E+04 -0.85847E+03 104 0.259E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 43.67294 new 48.69235
0.114E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.021004962801222E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.190449529714177
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.369280566453428
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.157482409329210
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.248687845475895E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.471687144948394
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.590854832668950
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.401953828864570
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.021004962801222E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.190449529714177
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.369280566453428
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.157482409329210
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.248687845475895E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.471687144948394
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.590854832668950
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.401953828864570
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
9.980647173154178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.542520534654473
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.645577876961054E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.914085656216682
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.240535219185630
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.125123866081641
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.231750440816569
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.458910787709733
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
9.980647173154178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.542520534654473
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.645577876961054E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.914085656216682
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.240535219185630
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.125123866081641
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.231750440816569
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.458910787709733
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.141630645961811
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.688956835053260
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.179574130951654
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.924146388898540
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.262775750372139
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.388491302445986
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.553581882395410
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.720171138000599
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.141630645961811
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.688956835053260
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.179574130951654
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.924146388898540
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.262775750372139
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.388491302445986
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.553581882395410
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.720171138000599
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.293774052077418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.923976186793752
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.618499256799697
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.997654975878572
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.441462485990148
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.199230787694938
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.686184803199645
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.119525906666043
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.293774052077418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.923976186793752
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.618499256799697
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.997654975878572
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.441462485990148
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.199230787694938
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.686184803199645
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.119525906666043
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.328675579197092
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.24351084491686
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.913531812137588
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.994170364645523
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.864829767816210
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-7.478354092389389E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.805977018623303
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.223116029037298
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.328675579197092
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.24351084491686
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.913531812137588
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.994170364645523
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.864829767816210
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-7.478354092389389E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.805977018623303
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.223116029037298
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.584938285844728
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.259743506762693
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.298122502944495
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.719768138934051
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.319863986228877
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.142515795780789
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.228758333378651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.144645932118620
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.584938285844728
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.259743506762693
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.298122502944495
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.719768138934051
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.319863986228877
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.142515795780789
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.228758333378651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.144645932118620
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.206793467265774
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.458857148793155E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.690215907176137E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.439690574170310
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.440724870184491
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.193382993713491
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.239919489061394
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.683012571449089E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.206793467265774
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.458857148793155E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.690215907176137E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.439690574170310
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.440724870184491
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.193382993713491
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.239919489061394
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.683012571449089E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.08011715465396
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.428968550870118E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.243329460185061
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
7.360832675421417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.321415177304961
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
7.585167421683457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.476660475200157E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.118158554617203
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.08011715465396
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.428968550870118E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.243329460185061
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
7.360832675421417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.321415177304961
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
7.585167421683457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.476660475200157E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.118158554617203
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.22122937545105
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-5.448058456396285E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.515818397755096E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.066692972988593E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.307129444093451E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
3.477936805752024E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.660454658617598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.295236962073093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.22122937545105
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-5.448058456396285E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.515818397755096E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.066692972988593E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.307129444093451E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
3.477936805752024E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.660454658617598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.295236962073093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.61448426723017
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.168763399400216
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.111208157502697
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.790512426790307E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.457148876021481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.584942868922968E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.003799026775027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.997979634744342E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.61448426723017
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.168763399400216
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.111208157502697
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.790512426790307E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.457148876021481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.584942868922968E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.003799026775027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.997979634744342E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
8.174706390641792E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.140681449080856
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.614103784197942E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.439260819109093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.444526193733788E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.169208445532226
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
8.344251752251117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.690126962206301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
8.174706390641792E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.140681449080856
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.614103784197942E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.439260819109093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.444526193733788E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.169208445532226
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
8.344251752251117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.690126962206301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.273024097164910E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.223098837946042
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.182783242064386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.968495537982195E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.121687156242608
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.679105612206113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.264788981928847
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.177352975721529
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.273024097164910E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.223098837946042
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.182783242064386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.968495537982195E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.121687156242608
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.679105612206113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.264788981928847
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.177352975721529
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-6.382162325617466E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.143805168669106
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-6.615137751546791E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.236110662603933E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.655393604011308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-6.307943264128459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.686752660471740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.203547777195369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-6.382162325617466E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.143805168669106
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-6.615137751546791E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.236110662603933E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.655393604011308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-6.307943264128459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.686752660471740E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.203547777195369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.089407714473838E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
6.469914412327424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.796151326113089E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-8.827432164804411E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.222084108241262E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-8.311969357941609E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.984848795655945E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.680510244330787E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.089407714473838E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
6.469914412327424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.796151326113089E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-8.827432164804411E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.222084108241262E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-8.311969357941609E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.984848795655945E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.680510244330787E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.182828977930349E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.324509264436295E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.909748701229182E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.966499855675874E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-6.657668362703721E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.135944280053674E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.887745366621157E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.182828977930349E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.324509264436295E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.909748701229182E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.966499855675874E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-6.657668362703721E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.135944280053674E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.887745366621157E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.583494920982966E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.996839010418797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.254707434749077
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.952787022412935E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.116068297799083
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.724899348306990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.120616415618341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.014060917108891E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.583494920982966E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.996839010418797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.254707434749077
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.952787022412935E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.116068297799083
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.724899348306990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.120616415618341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.014060917108891E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.580660158989839E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.206680245181267
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.899341063445126E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.723248448005909E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.261266770175602
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
6.721162967315698E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.288491999244941
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.557136529720571E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.580660158989839E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.206680245181267
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.899341063445126E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.723248448005909E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.261266770175602
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
6.721162967315698E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.288491999244941
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
3.557136529720571E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.187112655323728E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.181752182445387
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.302826739129694E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.175647809545999E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.692612296964525E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.242364624949323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.051597991395644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.162220285772634
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.187112655323728E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.181752182445387
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.302826739129694E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.175647809545999E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.692612296964525E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.242364624949323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.051597991395644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.162220285772634
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.864641246290621E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.136973402441592
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.395184270587237E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.581551959106288E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.340470120681333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.521384386841172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.954913494882750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.108584480286298
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.864641246290621E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.136973402441592
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.395184270587237E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.581551959106288E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.340470120681333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.521384386841172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.954913494882750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.108584480286298
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-4.603558582970314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.072542790432693E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-6.317634661057422E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.190712885872986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.997494723509513E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-3.196862055236510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.671072134887379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.043012292907987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-4.603558582970314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.072542790432693E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-6.317634661057422E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.190712885872986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.997494723509513E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-3.196862055236510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.671072134887379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.043012292907987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.760413262529369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.559085465184041
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.760413262529369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.559085465184041
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.04819131081435
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.272490109102288
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.04819131081435
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.272490109102288
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.523950121165386
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.129537131756410E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.523950121165386
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.129537131756410E-002
DAV: 49 -0.133617377290E+05 -0.65312E+04 -0.12418E+05 132 0.285E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 48.69235 new 46.79107
0.246E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.823930535645166E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.266296879968863
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.176721870511033
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.186869729846607
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.807011260093121E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.266487670371846
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.162447189829175
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.935306055882061E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.823930535645166E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.266296879968863
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.176721870511033
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.186869729846607
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.807011260093121E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.266487670371846
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.162447189829175
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.935306055882061E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.717774948591631
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.161172925359287
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.826937951111478
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.495493676266491
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.570170389921531E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.794341586194315
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
8.838196625740297E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.256258417407733
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.717774948591631
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.161172925359287
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.826937951111478
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.495493676266491
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.570170389921531E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.794341586194315
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
8.838196625740297E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.256258417407733
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.67752130067580
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.129407115965968
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.579493380534396
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.480010300208579
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.539942617747856
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.679870779970614
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.296715375996642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.483403162572060
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.67752130067580
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.129407115965968
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.579493380534396
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.480010300208579
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.539942617747856
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.679870779970614
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.296715375996642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.483403162572060
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.21074623268097
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.164384851235051
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.758939245379073
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.464629999736495
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.11226148899843
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.458516743758667
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.935824369560399E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.257562147005362
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.21074623268097
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.164384851235051
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.758939245379073
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.464629999736495
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.11226148899843
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.458516743758667
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.935824369560399E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.257562147005362
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.60495378237528
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.539328261914986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.43706324499813
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.332886691248245
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.45279344798292
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.265471196081752
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.229612518241864E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.109823790886756
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.60495378237528
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.539328261914986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.43706324499813
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.332886691248245
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.45279344798292
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.265471196081752
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.229612518241864E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.109823790886756
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.855856825794718E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.231472069976092
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.582825229773870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.238768895299048
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.188288352734212
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.132489469247583
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.180757895829539
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.372206469296391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.855856825794718E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.231472069976092
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.582825229773870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.238768895299048
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.188288352734212
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.132489469247583
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.180757895829539
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.372206469296391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.105585216634534
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.702129245930407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.108940752863454
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.714459921466459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.151736596012410
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.513568708096638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.426329153234685E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.621485050490504E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.105585216634534
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.702129245930407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.108940752863454
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.714459921466459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.151736596012410
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.513568708096638E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.426329153234685E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.621485050490504E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.390598404642822E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
5.176385050786349E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.247730456213296
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.269955946022033
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.279199756005391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.304554884762132
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.892216653919714E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.212827112557293E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.390598404642822E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
5.176385050786349E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.247730456213296
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.269955946022033
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.279199756005391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.304554884762132
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.892216653919714E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.212827112557293E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.415336093025451
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.335873637190024E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.100701130996142
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.082055894182025E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.036800899987854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.820327123990200E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.414736636670705
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.947037815205095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.415336093025451
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.335873637190024E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.100701130996142
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.082055894182025E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.036800899987854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.820327123990200E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.414736636670705
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.947037815205095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.106502113408096
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.232052997074875
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.285071394182026
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.144539608271577
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.480334215541113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.244255242741061
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.146418302519271
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.529508678638808E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.106502113408096
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.232052997074875
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.285071394182026
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.144539608271577
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.480334215541113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.244255242741061
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.146418302519271
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.529508678638808E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.214243521042106E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.547256185860966E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.971041934719831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.152123761687585E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.953558965509631E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.108105394278424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.411935782737853E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-9.883534458859033E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.214243521042106E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.547256185860966E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.971041934719831E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.152123761687585E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.953558965509631E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.108105394278424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.411935782737853E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-9.883534458859033E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.268653861378446
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.643843902091550E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.415768703316937
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.069698701250103E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.096171138706023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-7.161182782856056E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.171109349026652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.341218694439700E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.268653861378446
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.643843902091550E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.415768703316937
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.069698701250103E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.096171138706023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-7.161182782856056E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.171109349026652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.341218694439700E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.433444531865429E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.471878240922888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.883054042114948E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.235225407238479E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.132311180089312
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.161296166754389
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.603479309131690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.367514071139785
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.433444531865429E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.471878240922888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.883054042114948E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.235225407238479E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.132311180089312
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.161296166754389
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.603479309131690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.367514071139785
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.354267155230961E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.588245277444608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-6.948478092498247E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.073275954626385E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.833757798561262E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.988880916956873E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.100147959977400
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.377634695975928
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.354267155230961E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.588245277444608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-6.948478092498247E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.073275954626385E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.833757798561262E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.988880916956873E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.100147959977400
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.377634695975928
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.346825733268798E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.530661552916898E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.515692273249747E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.253328794388419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.620253204351813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.782327297823402E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.948967198253383E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.349849761315845
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.346825733268798E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.530661552916898E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.515692273249747E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.253328794388419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.620253204351813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.782327297823402E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.948967198253383E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.349849761315845
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.628440527941203E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.328328867762949E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.795721221465383E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.235727256369081E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-6.348991673977173E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.228655066398339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.094521760144441E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.201846583221904
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.628440527941203E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
3.328328867762949E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.795721221465383E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.235727256369081E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-6.348991673977173E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.228655066398339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.094521760144441E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.201846583221904
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.485099307421847
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.287545127187669E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.485099307421847
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-6.287545127187669E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.111658163920018
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.286602876243928
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.111658163920018
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.286602876243928
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.953365969822498E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.204892508380092
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.953365969822498E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.204892508380092
DAV: 50 -0.343994271471E+04 0.99218E+04 -0.14961E+04 100 0.382E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.79107 new 46.29723
0.109E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.146596872209683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.116907815437858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.133984147573286
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.390963121232650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.330409417768868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-9.286722532439520E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.127959047129376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.205427394228945
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.146596872209683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.116907815437858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.133984147573286
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.390963121232650E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.330409417768868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-9.286722532439520E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.127959047129376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.205427394228945
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.535888150700925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.251047799261181
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.314887975951131
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.512132765629339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.187102764216650
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.175456550013242
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-9.591021209017483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
8.127555737010023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.535888150700925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.251047799261181
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.314887975951131
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.512132765629339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.187102764216650
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.175456550013242
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-9.591021209017483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
8.127555737010023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.734290033437911E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.194955320255227
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.266052155806617
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.361436177829883
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.591277759610099E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.105655748184406
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.929978832760533E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.285531065712230
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.734290033437911E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.194955320255227
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.266052155806617
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.361436177829883
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.591277759610099E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.105655748184406
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.929978832760533E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.285531065712230
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.349550802898742
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.115933611295069
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.670626066552100
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.476619271970030E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.173907203648499
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.953546407306901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.266742424511822E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.967772368555764E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.349550802898742
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.115933611295069
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.670626066552100
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.476619271970030E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.173907203648499
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.953546407306901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.266742424511822E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.967772368555764E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.22211391438878
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.424321848579263
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.545117171467951
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.101061228217232
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.245489551339222
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.407566956431441E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.193712526862669
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.103067177284270
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.22211391438878
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.424321848579263
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.545117171467951
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.101061228217232
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.245489551339222
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.407566956431441E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.193712526862669
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.103067177284270
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.09158964707936
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.501655792522996E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.350764940259292
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-6.963914266700774E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.107712430127465
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.469779603543279E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.107455189886613
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.456902060018841E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.09158964707936
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.501655792522996E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.350764940259292
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-6.963914266700774E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.107712430127465
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.469779603543279E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.107455189886613
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.456902060018841E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.23522669950609
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.205767465364752
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.102238640604250
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.021405852165730E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
6.475691468707885E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.776248935414509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-6.296851587428796E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.983384916748139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.23522669950609
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.205767465364752
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.102238640604250
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.021405852165730E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
6.475691468707885E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.776248935414509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-6.296851587428796E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.983384916748139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.818033033941163
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.925695421570348E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.900202464867805
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.052482967771448E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.288629938446647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.591760890300107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.537147414517433E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.411954060747714E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.818033033941163
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.925695421570348E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.900202464867805
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.052482967771448E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.288629938446647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.591760890300107E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.537147414517433E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.411954060747714E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.977106347451925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.674252184991999E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.144578802001587
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.101933634184712
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.176950366750306
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.724732996930295E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.289544351743109
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.816221862978076E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.977106347451925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.674252184991999E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.144578802001587
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.101933634184712
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.176950366750306
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.724732996930295E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.289544351743109
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.816221862978076E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.155435972559215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.135426291952543
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.596180138090336E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.173638908040682
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.360159236652323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.848838668253695E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.203017894327564
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.224177704186122
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.155435972559215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.135426291952543
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.596180138090336E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.173638908040682
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.360159236652323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.848838668253695E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.203017894327564
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.224177704186122
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
4.636482988907070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.728976767588661E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.818908412345598E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.130402186730242
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.348178553154087E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
7.802005224466163E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.172809391933038
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
9.347154259830964E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
4.636482988907070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-3.728976767588661E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.818908412345598E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.130402186730242
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.348178553154087E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
7.802005224466163E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.172809391933038
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
9.347154259830964E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.807658325885184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.158592010729328E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.239104002305150E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
8.122274178644590E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.156830396982228
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.990707390272555E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.125064965182851E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.471280625423454E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.807658325885184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.158592010729328E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.239104002305150E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
8.122274178644590E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.156830396982228
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.990707390272555E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
5.125064965182851E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.471280625423454E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.423584985822009E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.608284213935212E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.260475251426009E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
5.851268305439648E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-9.697285234922981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.513702450017300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
7.854988703161205E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.372326642110450E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.423584985822009E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.608284213935212E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.260475251426009E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
5.851268305439648E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-9.697285234922981E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.513702450017300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
7.854988703161205E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.372326642110450E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.950277644537457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.177117296835310
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.187250361846037
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.012946707869519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.288170594151250
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.197548960928509
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.327960557168629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.121862343782740
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.950277644537457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.177117296835310
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.187250361846037
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.012946707869519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.288170594151250
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.197548960928509
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.327960557168629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.121862343782740
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.109927020634647
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.176101821510127
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.480361184901497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.447323916140953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-9.976267607847772E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.120814822644947E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.585298061755402
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.012601420239573E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.109927020634647
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.176101821510127
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.480361184901497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.447323916140953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-9.976267607847772E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.120814822644947E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.585298061755402
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.012601420239573E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.099068193912863E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.105731765955026E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.118847406694251E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.141784827613058
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.024850214758477E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.660303489489564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.103129670875729
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.116634057055715E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.099068193912863E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.105731765955026E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.118847406694251E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.141784827613058
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.024850214758477E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.660303489489564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.103129670875729
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.116634057055715E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.945907917833713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.458734797066498E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
6.218546785775113E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
5.569126635376744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.111847567439055E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.299633208671816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-9.589217279348930E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.248039392978366E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.945907917833713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.458734797066498E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
6.218546785775113E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
5.569126635376744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.111847567439055E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.299633208671816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-9.589217279348930E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.248039392978366E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.025474853096937E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.339857268319378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.269209933487124E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.403775875086882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-5.495777015875287E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.297291839175039E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.239803072119555E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.124659486050248E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.025474853096937E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.339857268319378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.269209933487124E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.403775875086882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-5.495777015875287E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.297291839175039E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.239803072119555E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.124659486050248E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.930979147356157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.671037778343068E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.930979147356157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.671037778343068E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.080891064751797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.122064791752886
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.080891064751797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.122064791752886
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.070508600483634E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.799182378640525E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.070508600483634E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.799182378640525E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.553287613038553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.808191323257174E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.553287613038553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.808191323257174E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.566062600246750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.965426496333452E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.566062600246750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.965426496333452E-003
DAV: 51 -0.421045940782E+04 -0.77052E+03 -0.36182E+04 120 0.279E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.29723 new 46.37524
0.126E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.766636575394845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.530305046432775
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.171093229221813
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.579508377091410E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-4.315169845097325E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.458664263576293E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
4.242520870723206E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.748923314383617
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.766636575394845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.530305046432775
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.171093229221813
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.579508377091410E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-4.315169845097325E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.458664263576293E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
4.242520870723206E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.748923314383617
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.114196480906924
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.300415122977412
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.464069537783071E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.250680899540341
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.966729708532849E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.169100407317592
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.096826821855794E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.668470604956523E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.114196480906924
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.300415122977412
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.464069537783071E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.250680899540341
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.966729708532849E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.169100407317592
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.096826821855794E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.668470604956523E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.170715373568416
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.371728133688396
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.884804810991570E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.194725645662705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.251458707909044E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.727049822512419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.258165569191152
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.463950970051758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.170715373568416
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.371728133688396
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.884804810991570E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.194725645662705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.251458707909044E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.727049822512419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.258165569191152
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.463950970051758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.590195726764753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.051208279031741E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.108231436620864
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.240456609441772E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.175027976854582
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.108664311867026
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.452358145264499E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-9.363769620522277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.590195726764753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-7.051208279031741E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.108231436620864
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.240456609441772E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.175027976854582
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.108664311867026
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.452358145264499E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-9.363769620522277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.204867917916155
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.203209555252198
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.492698214312691E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.130096327025839E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.247455758389193E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.654667669855307
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.593693273055879E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.138308988013315
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.204867917916155
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.203209555252198
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.492698214312691E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.130096327025839E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.247455758389193E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.654667669855307
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.593693273055879E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.138308988013315
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.301571949301953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.418741726436209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.464181595112614E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.521192075595690E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.995815528066416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.364952664005484
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.323120519557729
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.010353950541087E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.301571949301953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.418741726436209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.464181595112614E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.521192075595690E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.995815528066416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.364952664005484
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.323120519557729
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.010353950541087E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.393755015101784E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.843870457294918E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.964340292327163E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.515584593068451E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.909972273197817E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.125351375910099
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.073120292623308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.194829491718746E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.393755015101784E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.843870457294918E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.964340292327163E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.515584593068451E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.909972273197817E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.125351375910099
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.073120292623308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.194829491718746E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.907395874091780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.418633371051737E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.532995418117845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.939423547177524E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.312537096711567E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-3.638599979771259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.600614515738314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.130180112483868E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.907395874091780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.418633371051737E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.532995418117845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.939423547177524E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.312537096711567E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-3.638599979771259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.600614515738314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.130180112483868E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.304605954815900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.171744377327184
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.242557543857311E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
6.781360813491935E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.323412831958880
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.340443205369205E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.116469590774089
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.236477278440431
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.304605954815900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.171744377327184
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.242557543857311E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
6.781360813491935E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.323412831958880
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.340443205369205E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.116469590774089
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.236477278440431
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
8.286079758915528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.237596550731867
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.601377283381329E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.132850468255513
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.247625672331285E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.104203906005386
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.145734595125963E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.180333686537745
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
8.286079758915528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.237596550731867
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.601377283381329E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.132850468255513
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.247625672331285E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.104203906005386
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.145734595125963E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.180333686537745
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.423612562479934E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
5.340138428152050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.967157603564350E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.907664870162116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.526845126850516E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
9.738194606657053E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.993957414996764E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.685984896929996E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.423612562479934E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
5.340138428152050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.967157603564350E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.907664870162116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.526845126850516E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
9.738194606657053E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.993957414996764E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.685984896929996E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.788575861527527E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.107778300052216
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.154563986621087
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.124090290431404
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.109100452676918
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.570399248465210E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.885417329665800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.331853228714683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
2.788575861527527E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.107778300052216
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.154563986621087
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.124090290431404
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.109100452676918
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.570399248465210E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.885417329665800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.331853228714683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.932053462110765E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.842664743517517E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.549202625903195E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.987250804601209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-9.699403949136691E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.129463006220561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.993596584193896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.399925093933059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.932053462110765E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.842664743517517E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.549202625903195E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.987250804601209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-9.699403949136691E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.129463006220561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.993596584193896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.399925093933059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.105590205289828
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.177194108189699E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.268669468634389E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.998545540576491E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.245623386926760
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.232189942750694
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.802849522475493E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.816278552939570E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.105590205289828
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.177194108189699E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.268669468634389E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.998545540576491E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.245623386926760
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.232189942750694
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.802849522475493E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.816278552939570E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.089041380541995E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.720122865857345E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.278227923403939E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.780168786587075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.206395101364877
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.230319725788776
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
7.835817384785644E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.759165655718816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.089041380541995E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.720122865857345E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.278227923403939E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.780168786587075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.206395101364877
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.230319725788776
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
7.835817384785644E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.759165655718816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.622553913476902E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.132940334023801E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.401501944217956E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.251755632307929E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.132608157516146
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.169666565015441
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.143540489645589E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.823496520974879E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.622553913476902E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.132940334023801E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.401501944217956E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.251755632307929E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.132608157516146
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.169666565015441
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.143540489645589E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.823496520974879E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.668566435784105
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.422969182765966
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.668566435784105
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.422969182765966
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.134433641564781
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.837268403329275
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.134433641564781
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.837268403329275
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.110226655661968
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.854491093413405
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.110226655661968
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.854491093413405
DAV: 52 -0.161577326602E+04 0.25947E+04 -0.89090E+03 100 0.288E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.37524 new 48.95503
0.825E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.605608936978211E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.133593535024171
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.238697518395404E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.607393259756639
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.114591566438610
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.352257096129418
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.807463862004389E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.100368083718000
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.605608936978211E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.133593535024171
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.238697518395404E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.607393259756639
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.114591566438610
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.352257096129418
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.807463862004389E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.100368083718000
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.984076796811576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.149718072740327
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.139172680823325
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.479901567629838E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.291979000605113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.135756244213126
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.073357647641398E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.836514893633946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.984076796811576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.149718072740327
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.139172680823325
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.479901567629838E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.291979000605113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.135756244213126
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.073357647641398E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.836514893633946E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.216576296293793
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.170097120739825
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.639201168853559E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.392198147264629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.587803450464048E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
8.217283261847970E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.430149759311173
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.326277136875384
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.216576296293793
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.170097120739825
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.639201168853559E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.392198147264629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.587803450464048E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
8.217283261847970E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.430149759311173
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.326277136875384
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.780626942793004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.338137263715574
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.103557196404836
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.726716972678007E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.687780740317250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
8.019584201146399E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.579054944564340E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.237505429564173
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.780626942793004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.338137263715574
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.103557196404836
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.726716972678007E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.687780740317250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
8.019584201146399E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.579054944564340E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.237505429564173
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.820407474638054
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.421528968824734
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.130905042290676
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.035647668540642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.900316432126092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.581957234211015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.144893103276638
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.441135598582254E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.820407474638054
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.421528968824734
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.130905042290676
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.035647668540642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.900316432126092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.581957234211015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.144893103276638
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.441135598582254E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.576296557288482
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.421952931241985
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.255107502669032
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.303106627273680
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.562884832357563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.741112419975842
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.390932955751263
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.111964773611231
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.576296557288482
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.421952931241985
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.255107502669032
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.303106627273680
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.562884832357563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.741112419975842
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.390932955751263
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.111964773611231
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.140650609301216
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.226353418503228
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.116936898328053
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.505328635070550
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.504817560987262
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.563851482925164
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.695359797097863
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.258054488154166E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.140650609301216
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.226353418503228
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.116936898328053
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.505328635070550
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.504817560987262
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.563851482925164
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.695359797097863
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.258054488154166E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.447442482027832
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.990104751151463E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.193379656183002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.350556183813714
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.278935831637972
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.315695275103290
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.852327063378275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.223819340677746
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.447442482027832
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.990104751151463E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.193379656183002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.350556183813714
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.278935831637972
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.315695275103290
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.852327063378275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.223819340677746
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.300539369822795
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.179559832697052E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.011266538021500E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
9.458718369743725E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.592646293788760E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.168736910837949
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.910541130214425E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-6.198031538332588E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.300539369822795
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.179559832697052E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.011266538021500E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
9.458718369743725E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.592646293788760E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.168736910837949
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.910541130214425E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-6.198031538332588E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.307139503042222
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
9.609951128654360E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.162217878154460E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
5.460782189706729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.636933606477870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.106625111505253E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.182793382462800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.014444827490047E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.307139503042222
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
9.609951128654360E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.162217878154460E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
5.460782189706729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.636933606477870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.106625111505253E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.182793382462800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.014444827490047E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.168386852218023
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.351228572412204E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.542953502303291E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.109343383510938E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.140247287110103
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.139761205222098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-6.997737064194011E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.241832969616113
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.168386852218023
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.351228572412204E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.542953502303291E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.109343383510938E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.140247287110103
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.139761205222098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-6.997737064194011E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.241832969616113
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.105618182377044
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.591984344845945E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.311874877092958E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.158964373073865E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.120226803796777
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.088183429865437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.996437016062018E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.222505650176644
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.105618182377044
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.591984344845945E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.311874877092958E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.158964373073865E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.120226803796777
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.088183429865437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.996437016062018E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.222505650176644
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.015550054101878E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.886714177470953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.289623675400849E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.881342990847252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.936436770891106E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.939508745657132E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.701238479731226E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
9.043994111579902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.015550054101878E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.886714177470953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.289623675400849E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.881342990847252E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.936436770891106E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.939508745657132E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.701238479731226E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
9.043994111579902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.428360997443581E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.647162114930447E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.169733380803214E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-5.774933613896719E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.725910414034430E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.153706753601871E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.245928692617076E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
9.803394819949483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.428360997443581E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.647162114930447E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.169733380803214E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-5.774933613896719E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.725910414034430E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.153706753601871E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.245928692617076E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
9.803394819949483E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
3.469145114143018E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.558696816065204E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
5.395425381543223E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.578011770856285E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
7.005980554421197E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.524004878901475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-4.667422592892990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.092794378042101E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
3.469145114143018E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.558696816065204E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
5.395425381543223E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.578011770856285E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
7.005980554421197E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.524004878901475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-4.667422592892990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.092794378042101E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.562445133045661E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.141992924295953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.156698598697379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.152415875186016
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
3.567663390954639E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.474532459808058E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.741266182396264E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.127803948059913
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.562445133045661E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.141992924295953E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.156698598697379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.152415875186016
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
3.567663390954639E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.474532459808058E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.741266182396264E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.127803948059913
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.132436702854954
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.953141903979780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.419384982313362
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.128897302661243
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.514836410229003E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.693984497812230E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.223833549652915E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.684770162497730E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.132436702854954
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.953141903979780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.419384982313362
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.128897302661243
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.514836410229003E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.693984497812230E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.223833549652915E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.684770162497730E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.176052173502581
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.199398499605837
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.431626512298129E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.446927763900679E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.301657191879884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.518792124779702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.193820733287487
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.242402906064537
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.176052173502581
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.199398499605837
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.431626512298129E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.446927763900679E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.301657191879884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.518792124779702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.193820733287487
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.242402906064537
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.643464182293705E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.773555355515316E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-8.107929651430013E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.430715051547374E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.867701912258509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.679794375998221E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.622277441070339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.208638080503646
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.643464182293705E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.773555355515316E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-8.107929651430013E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.430715051547374E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.867701912258509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.679794375998221E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.622277441070339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.208638080503646
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.236860847519734E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.816984412370151E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.688408730029243E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.587589035327622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.322593784557141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.373979864093042E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
9.098338104561150E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.105341493314230
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.236860847519734E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.816984412370151E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.688408730029243E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.587589035327622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.322593784557141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.373979864093042E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
9.098338104561150E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.105341493314230
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.273525300007152
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.124922855803820
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.273525300007152
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.124922855803820
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.238684492514576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.783346209896029E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.238684492514576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.783346209896029E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.105438981970150
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.144228901385805
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.105438981970150
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.144228901385805
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.267983287059104E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.476310321491357E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.267983287059104E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.476310321491357E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.824825060821144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.438078791194455E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.824825060821144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.438078791194455E-002
DAV: 53 -0.706895166992E+04 -0.54532E+04 -0.61538E+04 136 0.249E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 48.95503 new 47.34176
0.260E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.531566317248144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-4.961905431464563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.212078432420828
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.185193297746475
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.182211309620353
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.277970233300507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.103989511813192
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.867851589066430E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.531566317248144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-4.961905431464563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.212078432420828
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.185193297746475
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.182211309620353
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.277970233300507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.103989511813192
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.867851589066430E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.098725993479434E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.421356148772765
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.381464608326396
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.226989030504400
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.613056234373185
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.502842101441086
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.813982804164079E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.472450658699210
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.098725993479434E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.421356148772765
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.381464608326396
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.226989030504400
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.613056234373185
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.502842101441086
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.813982804164079E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.472450658699210
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.106991015072746
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.211483710409487
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.377157520288095
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.398391253666242E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.732162577179548E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.136552997359576
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.876315242170189E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.305089222107126
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.106991015072746
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.211483710409487
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.377157520288095
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.398391253666242E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.732162577179548E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.136552997359576
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.876315242170189E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.305089222107126
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.452578410779340
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.163398864754709
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.221755343031789
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.03022846673644
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.742494512423950
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
5.221326510577228E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.116051969080795
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.390681310155146
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.452578410779340
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.163398864754709
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.221755343031789
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.03022846673644
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.742494512423950
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
5.221326510577228E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.116051969080795
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.390681310155146
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
8.142536507182618E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.837593373586314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.164708394412961
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.121941960449317
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.156302183109448
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.191076016156172
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.628056038035918E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.155489090353040
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
8.142536507182618E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.837593373586314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.164708394412961
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.121941960449317
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.156302183109448
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.191076016156172
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.628056038035918E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.155489090353040
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.116555692919456
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.411951026577781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.839245038986411E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.240375428625306
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.273030754398060
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.126998701779256
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.172794663657155
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.144222370546006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.116555692919456
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.411951026577781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.839245038986411E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.240375428625306
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.273030754398060
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.126998701779256
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.172794663657155
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.144222370546006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.129079310023703
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-8.553190766259285E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.388284739976051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.298726726733045
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.210373062342838
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.031947632076899E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.191287146555027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.795334536734239E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.129079310023703
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-8.553190766259285E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.388284739976051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.298726726733045
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.210373062342838
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.031947632076899E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.191287146555027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.795334536734239E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.119070933708239
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.306094294795622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.976381874968873E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.263217066196325
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.100327438245896
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.004195482499903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.747516118831917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-6.163283671146729E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.119070933708239
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.306094294795622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.976381874968873E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.263217066196325
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.100327438245896
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.004195482499903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.747516118831917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-6.163283671146729E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.293482718991584
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.691077043347968E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.671503072973932
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.147373031386571
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.214654857293545
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.129130357875333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.293575284039587
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.165461101634656
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.293482718991584
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.691077043347968E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.671503072973932
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.147373031386571
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.214654857293545
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.129130357875333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.293575284039587
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.165461101634656
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.981855563218888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.129620019828636E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.638181360906804E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.320837248139923E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.134109131963920
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.218492589722307
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.986569128471493E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.324347594993031E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.981855563218888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.129620019828636E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.638181360906804E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.320837248139923E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.134109131963920
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.218492589722307
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.986569128471493E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.324347594993031E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.625994666170735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.728176524025142E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.826863476711437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
5.480420901163990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.103788790227340
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.155521044983441
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.114692658192656
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.140572842894075
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.625994666170735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.728176524025142E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.826863476711437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
5.480420901163990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.103788790227340
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.155521044983441
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.114692658192656
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.140572842894075
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-7.116844462497474E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.000430434289289E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.322260511573816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
5.907262378847416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-9.615545957219678E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-8.177374111299691E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-6.877002044867417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.950449408602059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-7.116844462497474E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.000430434289289E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.322260511573816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
5.907262378847416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-9.615545957219678E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-8.177374111299691E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-6.877002044867417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.950449408602059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-5.154140840125294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.607158931694197E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
3.748849041740679E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
4.095531828906975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.353496412304629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.173072458389562E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.816156909676069E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.455166496346078E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-5.154140840125294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-5.607158931694197E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
3.748849041740679E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
4.095531828906975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.353496412304629E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.173072458389562E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.816156909676069E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.455166496346078E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.111014439005234
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.430134429751243E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.168669151422049E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.620917755873022E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.557140762557484E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.760654519610602
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.288221523834857
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.123614466827677
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.111014439005234
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.430134429751243E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.168669151422049E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.620917755873022E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.557140762557484E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.760654519610602
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.288221523834857
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.123614466827677
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.203775475046794
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.868663607111511E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.334761364989415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.235456300965904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.715797763171590E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.294600357052291
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.258824299555486
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.743810855513375E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.203775475046794
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.868663607111511E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.334761364989415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.235456300965904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.715797763171590E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.294600357052291
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.258824299555486
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.743810855513375E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.271668826956893
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.500911990127303E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.661342104411722E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.859327476237262E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.072460069382908E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.163971465631406
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.709820961852736E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.334447849990521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.271668826956893
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.500911990127303E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.661342104411722E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.859327476237262E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.072460069382908E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.163971465631406
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.709820961852736E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.334447849990521E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.166391356900633
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-8.798927119628130E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.079108053248381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
3.051241635289032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.276210506993057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.992439699551376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.487859810784612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.839959397573728E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.166391356900633
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-8.798927119628130E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.079108053248381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
3.051241635289032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.276210506993057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.992439699551376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.487859810784612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.839959397573728E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.134811437127015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.310567586284309E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.215741745638509E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
9.594614101598155E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.880555258919795E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
8.437591218208087E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-5.318280992878659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
5.206699482556432E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.134811437127015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.310567586284309E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.215741745638509E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
9.594614101598155E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.880555258919795E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
8.437591218208087E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-5.318280992878659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
5.206699482556432E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.297672531694734
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.405427050119295
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.297672531694734
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.405427050119295
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
5.108434346836404E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.139538061598253
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
5.108434346836404E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.139538061598253
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.000110955556255E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.736471818584265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.000110955556255E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.736471818584265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.515875305250388E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.761312694832509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.515875305250388E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.761312694832509E-002
DAV: 54 -0.783328206349E+04 -0.76433E+03 -0.61268E+04 118 0.383E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 47.34176 new 44.33971
0.171E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
9.766546714940938E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.756711708799305E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.210586654336994
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.122417310418381
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.076620181315379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.104598602859987
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.299290779045140
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.681747204370188
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
9.766546714940938E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.756711708799305E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.210586654336994
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.122417310418381
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.076620181315379E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.104598602859987
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.299290779045140
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.681747204370188
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.155610787384806E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
5.424390939626942E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.108319185912832
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.212475239808999
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.487182897501254
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.759491587920894E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.499879373801437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.496806921976029
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.155610787384806E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
5.424390939626942E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.108319185912832
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.212475239808999
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.487182897501254
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
7.759491587920894E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.499879373801437E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.496806921976029
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.308578731342224
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.652631588158483
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.304912539843393
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.968678594672842
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.915012536742759
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.813306423391472
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.784273400599095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.149445717985858
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.308578731342224
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.652631588158483
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.304912539843393
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.968678594672842
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.915012536742759
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.813306423391472
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.784273400599095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.149445717985858
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.497987527487750
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.896235886780382
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.485310345654427
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.18269822273660
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.10005778695139
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.01021357183068
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.425868567316537E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.187573934283697
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.497987527487750
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.896235886780382
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.485310345654427
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.18269822273660
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.10005778695139
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.01021357183068
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.425868567316537E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.187573934283697
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.19319922981633
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.903567831220342
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.475609910576191
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.28113985984492
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.19532708411177
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.00818319241507
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.125861977822384E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.619010977834771E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.19319922981633
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.903567831220342
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.475609910576191
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.28113985984492
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.19532708411177
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.00818319241507
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.125861977822384E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.619010977834771E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.106084607327418
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.097155383489599E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.671483047761766
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.324893776858125
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.125645896224254
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.593281876062411E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
4.194499630000560E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.143302480582480
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.106084607327418
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.097155383489599E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.671483047761766
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.324893776858125
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.125645896224254
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.593281876062411E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
4.194499630000560E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.143302480582480
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.119874503894188
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.244280165676180
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.617588706285348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
5.640074126720313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.404249309729423
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.905760045120219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.256385748303761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-8.342781077582501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.119874503894188
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.244280165676180
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.617588706285348E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
5.640074126720313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.404249309729423
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.905760045120219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.256385748303761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-8.342781077582501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
8.895485621430725E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.180745141332082
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.785256550157036E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.113022999746955
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.709614533227540
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.078726828075954E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.204455923608097
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.111434033516460E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
8.895485621430725E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.180745141332082
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.785256550157036E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.113022999746955
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.709614533227540
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.078726828075954E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.204455923608097
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-4.111434033516460E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.074660652298217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.729469523725102E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.220913601108789E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
3.253864553560917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.104034416732962
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.026697449149197E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
9.252559352504937E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.416057906890499E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.074660652298217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.729469523725102E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.220913601108789E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
3.253864553560917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.104034416732962
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.026697449149197E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
9.252559352504937E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.416057906890499E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.134202953167501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-8.380448828012395E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.644460369678852E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.488735109390608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.02138987190581
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.528130938494003E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.153922362710000E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-5.013840872293457E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.134202953167501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-8.380448828012395E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.644460369678852E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.488735109390608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.02138987190581
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.528130938494003E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.153922362710000E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-5.013840872293457E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.251534766759402
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.103514914741730
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.406471804735057
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.493682560545727
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.729760703098223E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.409845321948519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.990514608036395E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.119909522997748
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.251534766759402
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.103514914741730
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.406471804735057
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.493682560545727
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.729760703098223E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.409845321948519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.990514608036395E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.119909522997748
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.126611806364684
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.884072196477742E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.148912229149894
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.499658694384900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-4.455776717088639E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.526668503163683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.160171969552235
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.219365139602132
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.126611806364684
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.884072196477742E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.148912229149894
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.499658694384900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-4.455776717088639E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.526668503163683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.160171969552235
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.219365139602132
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.144639698366265
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
6.233473896647873E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.102048440730551
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.420046463665472E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.196577022758046E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.702083970737450E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.164932214605006
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.656912143956965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.144639698366265
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
6.233473896647873E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.102048440730551
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.420046463665472E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.196577022758046E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.702083970737450E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.164932214605006
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.656912143956965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.482133035007020E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.982730438735285E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.012479329784213E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.024330702310156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.827613706746564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.301175917634569E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.532705973740519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.296095013082050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.482133035007020E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.982730438735285E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.012479329784213E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.024330702310156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.827613706746564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.301175917634569E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.532705973740519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.296095013082050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.621598171736989E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.309183394289757E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-8.516792480276987E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.018384874898124E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.136886712574591E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.250951817131292E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
8.798211771676357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.621598171736989E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.309183394289757E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-8.516792480276987E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.018384874898124E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.136886712574591E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.250951817131292E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
8.798211771676357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.372652039561695
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.298404699826131
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.144001840278442
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.157002163712411E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.997998930687881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.332026223801416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.001640143968247E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.927392548229930E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.372652039561695
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.298404699826131
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.144001840278442
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.157002163712411E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.997998930687881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.332026223801416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.001640143968247E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.927392548229930E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.268098927948511
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.105548705700523
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.148381003097136
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.143905640466162
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.102004900645559E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.379213337747507
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.987462923301332E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.201030343334364
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.268098927948511
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.105548705700523
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.148381003097136
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.143905640466162
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.102004900645559E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.379213337747507
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.987462923301332E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.201030343334364
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.124156427981934
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.687400120799478E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.885246305042649E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
5.265453694623894E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.263732643886165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.183519417931481
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.711652672020120E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.366821783359368
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.124156427981934
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.687400120799478E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.885246305042649E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
5.265453694623894E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.263732643886165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.183519417931481
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.711652672020120E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.366821783359368
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.948215756646906E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.875155582249726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-8.314568819217443E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.408298032743363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.876179810493250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
7.980664507481010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.279525283418865E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.158381463706180
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.948215756646906E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.875155582249726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-8.314568819217443E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.408298032743363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.876179810493250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
7.980664507481010E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.279525283418865E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.158381463706180
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.679093584623348E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.082566512460647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.108048828854782E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
6.637539506547938E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.654238457318870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.038415377842902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.971703969067290E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.878715472407258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.679093584623348E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.082566512460647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.108048828854782E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
6.637539506547938E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.654238457318870E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.038415377842902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.971703969067290E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.878715472407258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.791525782822392E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.08602855835881
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.791525782822392E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.08602855835881
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.329743612112672
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.260188061596202
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.329743612112672
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.260188061596202
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.129879308695109
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.056108052667837E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.129879308695109
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.056108052667837E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.158748750548516
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.595876983164461E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.158748750548516
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.595876983164461E-002
DAV: 55 -0.749062022227E+04 0.34266E+03 -0.67147E+04 134 0.307E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 44.33971 new 48.00925
0.282E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.150024039541491
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.129841681911298
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.421868791228408
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.101365499626418
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.800009031586890E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.222494647360507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.622715944969413
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.604221336462018
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.150024039541491
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.129841681911298
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.421868791228408
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.101365499626418
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.800009031586890E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
3.222494647360507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.622715944969413
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.604221336462018
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.816143097997590E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.793942822140593E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.406154022527110
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.004895245432118E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.515635677258139
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.119678792868723
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-6.731851260839557E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.668713184892853E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.816143097997590E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.793942822140593E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.406154022527110
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.004895245432118E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.515635677258139
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.119678792868723
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-6.731851260839557E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.668713184892853E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.265930200811346
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.212907197694804
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.341069471224745E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-6.103335635326265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.256428766222479
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.169919928801354
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.134909046979373E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.969364471194698E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.265930200811346
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.212907197694804
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.341069471224745E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-6.103335635326265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.256428766222479
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.169919928801354
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.134909046979373E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.969364471194698E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.222932488995440E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.708966423709077E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.256103395625809
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.166850920452356E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.390654120316556
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.038149358963134E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.518596185331047E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.136337128312848
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.222932488995440E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.708966423709077E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.256103395625809
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.166850920452356E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.390654120316556
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.038149358963134E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.518596185331047E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.136337128312848
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.101262174344184
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.106168608846570
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.168530372873250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.176626500448933
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.777634642274881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.170895533036765
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.366312743010099
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.354707809890617E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.101262174344184
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.106168608846570
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.168530372873250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.176626500448933
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.777634642274881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.170895533036765
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.366312743010099
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.354707809890617E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.051132079277630E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.722889378267878E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.059832882576214E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.424760556352892E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.107422868884588
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.122336288420169
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.147157589845170
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-7.445324820142937E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.051132079277630E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.722889378267878E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.059832882576214E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.424760556352892E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.107422868884588
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.122336288420169
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.147157589845170
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-7.445324820142937E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.208941517244008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.893001035902641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.447161854871019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.021030340865746E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.379287691119769E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.511172486368690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.079440313966652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.936774400580904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.208941517244008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.893001035902641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.447161854871019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.021030340865746E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.379287691119769E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.511172486368690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.079440313966652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.936774400580904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.689315484038157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.931485997235413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.109799550202074
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.466689556376362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.776813339132717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
6.820153242044080E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.562054218128770E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.606750646418479E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.689315484038157E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.931485997235413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.109799550202074
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.466689556376362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.776813339132717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
6.820153242044080E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.562054218128770E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.606750646418479E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.143033409167608
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.205936697092861
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.133523967432968
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.288552945054157
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.577203832460328E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.131721226858213
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.417067131939789
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.268147271370320E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.143033409167608
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.205936697092861
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.133523967432968
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.288552945054157
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.577203832460328E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.131721226858213
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.417067131939789
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.268147271370320E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.463256276043072
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.282360736365798
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.752804697186750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.504589825076341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.449363304301254E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.251830613064543
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.382638731587397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.568928422302110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.463256276043072
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.282360736365798
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.752804697186750E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.504589825076341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.449363304301254E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.251830613064543
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.382638731587397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.568928422302110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.373970004774019
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.599615813560782E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.128826445340259
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.102906827583080
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.354598329720495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.486024684662160E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.033109500034936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.237282953744963E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.373970004774019
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.599615813560782E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.128826445340259
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.102906827583080
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-3.354598329720495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.486024684662160E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.033109500034936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.237282953744963E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.189111144702404
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
8.194555748696666E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
9.774693032942217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
3.146223787173246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.505909453084395E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.399096105457403E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.075429922907891E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-8.935512303881989E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.189111144702404
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
8.194555748696666E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
9.774693032942217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
3.146223787173246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.505909453084395E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.399096105457403E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.075429922907891E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-8.935512303881989E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
9.635842853439316E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.166984312624267E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.588455674081986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.608375956285293E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.314406307419458E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-7.478378491344540E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.372935812877713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.989597219236975E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
9.635842853439316E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.166984312624267E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.588455674081986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.608375956285293E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.314406307419458E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-7.478378491344540E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.372935812877713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.989597219236975E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.263919579156344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.033557693749884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.529153808126880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.409671735278649E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.115552328990846E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.212030014602743
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.212362842575887
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.751907797253586E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.263919579156344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.033557693749884E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-7.529153808126880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.409671735278649E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.115552328990846E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.212030014602743
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.212362842575887
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.751907797253586E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.370365993246878E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.149684585181194
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.435849432148761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.397717743780575
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.426395658337865E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.110035913385389
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.108887752759756E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.787719587658894E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.370365993246878E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.149684585181194
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.435849432148761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.397717743780575
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.426395658337865E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.110035913385389
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.108887752759756E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.787719587658894E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.409909552632932E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.253836690871459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.207857804137477E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.444506233128930E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.155975450725436
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.771307919307414E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.814889095910172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.252404200216041E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.409909552632932E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.253836690871459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.207857804137477E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.444506233128930E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.155975450725436
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.771307919307414E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.814889095910172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.252404200216041E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.926503501607692E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.908445489375859E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.267474971780481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.835475350903610E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.597778506535712E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.483422573685201E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-4.979705089026924E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.833534176854566E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.926503501607692E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.908445489375859E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.267474971780481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.835475350903610E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.597778506535712E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.483422573685201E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-4.979705089026924E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.833534176854566E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.935489813513968E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.724670482399192E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-6.677366247829980E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.422685052368257E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.280903270169980E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.426228855244654E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.134644799175051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.499030533789689E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.935489813513968E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.724670482399192E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-6.677366247829980E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.422685052368257E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.280903270169980E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.426228855244654E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.134644799175051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-8.499030533789689E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.248096305046256
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.100682170654834
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.248096305046256
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.100682170654834
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.116414072504981
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.101270909571381
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.116414072504981
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.101270909571381
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.101552609763250
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.319814932472631E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.101552609763250
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.319814932472631E-002
DAV: 56 -0.464770408748E+04 0.28429E+04 -0.34839E+04 116 0.345E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 48.00925 new 45.41383
0.166E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.112026479907532
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.486238661187232E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.233663793206832
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.239720643715526E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.288730989841017E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.952422265711181E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.366273026772473
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.178243646859429
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.112026479907532
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.486238661187232E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.233663793206832
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.239720643715526E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.288730989841017E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.952422265711181E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.366273026772473
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.178243646859429
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.365937832762348
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.186023079997387
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.732083538336155
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.669195766520152E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.700204272912662E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
5.003706021000820E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.880600542404682E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.274037636065693
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.365937832762348
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.186023079997387
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.732083538336155
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.669195766520152E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.700204272912662E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
5.003706021000820E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.880600542404682E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.274037636065693
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.188809762204471
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.00811261867546
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.488680668329261
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.905109279583735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.796963225323187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.170549495408549
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.237927307746606E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.368333438980321E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.188809762204471
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.00811261867546
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.488680668329261
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.905109279583735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.796963225323187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.170549495408549
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.237927307746606E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.368333438980321E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.190026222536709
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.080903192537406E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.470766172544921E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.315939413518212E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.370650730248182
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.511627965925758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.210887451159811
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.812223307812990E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.190026222536709
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.080903192537406E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.470766172544921E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.315939413518212E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.370650730248182
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.511627965925758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.210887451159811
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.812223307812990E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.878192935002070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.686222813676270E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.033541800993919E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.337626842092754
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.056948016048736E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.242257163903187
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.276370653271669E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.220703193071852E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.878192935002070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.686222813676270E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.033541800993919E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.337626842092754
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.056948016048736E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.242257163903187
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.276370653271669E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.220703193071852E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.971698458105240E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.348210216774362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.080194724528510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.757361524469857E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.101591608834286
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.463002251518006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.177663581300721
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-9.622434874336440E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.971698458105240E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.348210216774362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.080194724528510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.757361524469857E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.101591608834286
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.463002251518006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.177663581300721
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-9.622434874336440E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.106148858010706E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.400751453889139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.410785544491141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.227368101544811E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.687757280959860E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.468494724387694E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.122561023336512
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.923991154020191E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.106148858010706E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.400751453889139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.410785544491141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.227368101544811E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.687757280959860E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.468494724387694E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.122561023336512
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.923991154020191E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-4.183076913300494E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.410731149649009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.907944987099192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.396740012171582E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.101574078101390E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.555372524820413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
7.439436406832065E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
7.879100693603293E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-4.183076913300494E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.410731149649009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.907944987099192E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.396740012171582E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.101574078101390E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.555372524820413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
7.439436406832065E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
7.879100693603293E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.301503065488578
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.247192682730491
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.680233153500651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.291682883203896
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.299705190752425
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.538630375768072E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.577496909895239E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.722346702046339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.301503065488578
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.247192682730491
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.680233153500651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.291682883203896
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.299705190752425
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.538630375768072E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.577496909895239E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.722346702046339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.642474940207832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.233236868488862
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.183737937137440
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.160693344525017E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.392226634790973
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.129651796843546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.861285940443859E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.285344527481644
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.642474940207832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.233236868488862
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.183737937137440
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.160693344525017E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.392226634790973
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.129651796843546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.861285940443859E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.285344527481644
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.524533267541353E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.447381048394579E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.155738250821871
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.853260390279217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.934692902049302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.565300269793481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.522098106508863E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.192224717432711
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.524533267541353E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.447381048394579E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.155738250821871
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.853260390279217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.934692902049302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.565300269793481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.522098106508863E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.192224717432711
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.778472916093610E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.202666498269703
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
7.550542104808512E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.551552177731158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.794883640579122E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
9.804409458688801E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.300886161447942E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
8.040776631451098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.778472916093610E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.202666498269703
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
7.550542104808512E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.551552177731158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.794883640579122E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
9.804409458688801E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.300886161447942E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
8.040776631451098E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.609253092863049E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.451193311939136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.429905819217893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.425304984675047E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.404090022908073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.322553635138423E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.329346183500594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.485504432533992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.609253092863049E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.451193311939136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
4.429905819217893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.425304984675047E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.404090022908073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.322553635138423E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.329346183500594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.485504432533992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.624691370048139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.566139815234197E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.355396500856995E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.198051188617937
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.268691735840199
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.158070041464464
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.106724768668918
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.865617917620025E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.624691370048139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.566139815234197E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.355396500856995E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.198051188617937
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.268691735840199
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.158070041464464
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.106724768668918
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.865617917620025E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.197086041565213
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.781938325484546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.868640843655280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.581621784617902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.128119519715633
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.242875641410786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.393905701541487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.115042965345936
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.197086041565213
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.781938325484546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.868640843655280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.581621784617902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.128119519715633
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.242875641410786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
2.393905701541487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.115042965345936
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.218418971856827
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.550599359560160E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.496893959737404E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.123814464830961
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.460093773870124
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.150784728795243
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.240205637640172
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.231767507892816
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.218418971856827
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.550599359560160E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.496893959737404E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.123814464830961
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.460093773870124
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.150784728795243
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.240205637640172
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.231767507892816
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.796910933973454E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.351047865121333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.169992812797971
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.152922997430988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.378751929834922
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.174521665648256
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.446507167196173
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.445210764684749
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.796910933973454E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.351047865121333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.169992812797971
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.152922997430988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.378751929834922
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.174521665648256
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.446507167196173
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.445210764684749
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.430609727106851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
8.303591905690563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.169238931589262
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.258779306900744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.236208365299651
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.119054643049906
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.537835410485427
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.488922101464533
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.430609727106851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
8.303591905690563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.169238931589262
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.258779306900744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.236208365299651
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.119054643049906
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.537835410485427
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.488922101464533
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.021942110543193E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.08353104404953
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.021942110543193E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.08353104404953
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.625552984627435E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.127345871931564
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.625552984627435E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.127345871931564
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.387705765372413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.117043291720971
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.387705765372413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.117043291720971
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.341761475564747E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.148632541326386
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.341761475564747E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.148632541326386
DAV: 57 -0.521453594138E+04 -0.56683E+03 -0.28615E+04 118 0.309E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.41383 new 43.72906
0.148E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.878795353135061E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.940930691529790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.275258340442974
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.102285289666582
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.347493325509793
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.123154896425138
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.324808180202641
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.233392785976766
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.878795353135061E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.940930691529790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.275258340442974
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.102285289666582
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.347493325509793
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.123154896425138
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.324808180202641
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.233392785976766
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.270501900363734
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.252731718697004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.203001826379913
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.242000919338889E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.360503872337835
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.995014333979102E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.492276016632173
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.245851025418161
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.270501900363734
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.252731718697004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.203001826379913
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.242000919338889E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.360503872337835
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.995014333979102E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.492276016632173
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.245851025418161
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.826899957063271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.347634335711737
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.180372020208274
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.105105953076808
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.755308998642229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.153041118192494
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.348886562680182
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-9.124907443198679E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.826899957063271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.347634335711737
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.180372020208274
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.105105953076808
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.755308998642229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.153041118192494
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.348886562680182
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-9.124907443198679E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.122292196355081
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.881018840159347
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.182817756135654
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.142938339918333
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-6.948302884262413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.225048337437104
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.116639404014976
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-7.141279052943435E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.122292196355081
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.881018840159347
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.182817756135654
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.142938339918333
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-6.948302884262413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.225048337437104
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.116639404014976
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-7.141279052943435E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.102753271781033
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.884099902145626
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.611087043441381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.154301373132089
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.003209722254749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.208257690109830
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.834377231418338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.113109192383603
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.102753271781033
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.884099902145626
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.611087043441381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.154301373132089
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.003209722254749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.208257690109830
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.834377231418338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.113109192383603
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.329609994381399
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.230680215968511
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.383922582192306
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.087785901211066E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.189616413188079E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.483321125394738E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.164838146690995
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.203585086196533
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.329609994381399
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.230680215968511
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.383922582192306
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.087785901211066E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.189616413188079E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.483321125394738E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.164838146690995
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.203585086196533
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.115489374954483
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.139132498150682
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.187543713671655
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.144143716141698
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.156387399411572
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.348295645642236
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.287393254046655
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
8.055031281078964E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.115489374954483
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.139132498150682
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.187543713671655
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.144143716141698
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.156387399411572
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.348295645642236
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.287393254046655
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
8.055031281078964E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.921132951307177E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.178737735940510
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.036171297958559E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-5.375913614059412E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.866906023141619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.350791516843085
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.337670511538626
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.309503494742072E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.921132951307177E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.178737735940510
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.036171297958559E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-5.375913614059412E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.866906023141619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.350791516843085
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.337670511538626
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.309503494742072E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.239564551121773E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
8.132559493883891E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.013771367927529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.675865539560729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.838027187818627E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.134893818342065
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.531389429616690
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.241883258276096E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.239564551121773E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
8.132559493883891E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.013771367927529E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.675865539560729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.838027187818627E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.134893818342065
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.531389429616690
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.241883258276096E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.885170002483941E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.441619036186081E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.548766981831255E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-7.573748456818941E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.102922266027164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.092009733288213E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.139664301095667
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
5.947626023170932E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.885170002483941E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.441619036186081E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.548766981831255E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-7.573748456818941E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.102922266027164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.092009733288213E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.139664301095667
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
5.947626023170932E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.124544007826138
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.980144793738532E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.147143953520067
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.202761785705183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.254667447948950
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.352789150360328
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
4.674149885569103E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.108962634353757
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.124544007826138
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.980144793738532E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.147143953520067
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.202761785705183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.254667447948950
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.352789150360328
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
4.674149885569103E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.108962634353757
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.100895225697398E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.104859833543419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.164653053645230
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.133151070025567
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.119060301301574
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.449804109599912E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.107084473846430
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.189230585050037
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.100895225697398E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.104859833543419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.164653053645230
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.133151070025567
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.119060301301574
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.449804109599912E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.107084473846430
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.189230585050037
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.205688066173691
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-9.030880801700298E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.189024119202379E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.406891579882901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.500598599058608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.192396355163453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.254140336203661E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.219932249033340
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.205688066173691
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-9.030880801700298E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.189024119202379E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.406891579882901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.500598599058608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.192396355163453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.254140336203661E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.219932249033340
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
7.551791421738677E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.817728594054347E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.112354082889921
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.405213315913590E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.295359204595280
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.200520683675855
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.191634957128698E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.135909365848448
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
7.551791421738677E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.817728594054347E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.112354082889921
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.405213315913590E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.295359204595280
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.200520683675855
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.191634957128698E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.135909365848448
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.304907583495890
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.145068434745001
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.844212243125232E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.189503184452123
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.197680303952587
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.190950357732644
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.108619076476501
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.473304696189747E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.304907583495890
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.145068434745001
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.844212243125232E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.189503184452123
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.197680303952587
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.190950357732644
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.108619076476501
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.473304696189747E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.286411750944828
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.318794233389280
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.493682893856863E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.206140439499214
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.566190271429702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.136808775478415
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.917274196279923E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.191652624996241
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.286411750944828
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.318794233389280
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.493682893856863E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.206140439499214
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.566190271429702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.136808775478415
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.917274196279923E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.191652624996241
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.194413463336038
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.336868617650266
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.373272507252744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.540737452272081E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.675638544154702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.287411875567207E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.409054737786987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.216528270013179
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.194413463336038
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.336868617650266
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.373272507252744E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.540737452272081E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.675638544154702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.287411875567207E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.409054737786987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.216528270013179
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.143656310949108
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.206079998412183
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.081265938462625E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.354701789031236E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-5.708291042427602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.065704909394971E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.641221496040021E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.144444841703123
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.143656310949108
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.206079998412183
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.081265938462625E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.354701789031236E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-5.708291042427602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.065704909394971E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.641221496040021E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.144444841703123
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.210684096265956
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.535810616413195
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.210684096265956
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.535810616413195
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.733180457906874
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.109882270963256
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.733180457906874
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.109882270963256
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.168577869393426
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-9.729533139429635E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.168577869393426
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-9.729533139429635E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.125080750083781
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.387046468616885E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.125080750083781
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.387046468616885E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.152511633117693
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.526579933877248E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.152511633117693
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.526579933877248E-002
DAV: 58 -0.118195930638E+05 -0.66051E+04 -0.69899E+04 120 0.289E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 43.72906 new 47.95495
0.135E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.101198148008167
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.256480719497685E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.887038372345255E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.713811671509074
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.358209293253488E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.135601185253430
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.187490142248687
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.658382178217416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.101198148008167
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.256480719497685E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.887038372345255E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.713811671509074
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.358209293253488E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.135601185253430
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.187490142248687
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.658382178217416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.233838944219439
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.336170211366893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.899502962805221E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.993362552889757E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.218477125077335
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.493300019552231
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.231509851779385
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.078980249012548E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.233838944219439
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.336170211366893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.899502962805221E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.993362552889757E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.218477125077335
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.493300019552231
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.231509851779385
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.078980249012548E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.330527675071854
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.116640219333813
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.670870668156996
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.304027932392912
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.597906807724344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.263215341995439
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.732428829013324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.138409323780613
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.330527675071854
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.116640219333813
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.670870668156996
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.304027932392912
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.597906807724344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.263215341995439
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.732428829013324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.138409323780613
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.173051941394339
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.961731973093448
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.803843247075577
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.401495499830195
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.218554073107108
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.554240368879744
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.193101792862084
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.733703779807164
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.173051941394339
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.961731973093448
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.803843247075577
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.401495499830195
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.218554073107108
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.554240368879744
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.193101792862084
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.733703779807164
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.579072831317048
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.725569049270584
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.763271683127389
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.622299694200549
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.481372664241497
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.641320604762154
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.597312529795002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.894449198164985
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.579072831317048
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.725569049270584
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.763271683127389
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.622299694200549
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.481372664241497
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.641320604762154
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.597312529795002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.894449198164985
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.113327579808999
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.108762699091640
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.985084239466444E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.459974815813390
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.177432097833565
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.242601404699573
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.513749877771874
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-8.677421108170380E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.113327579808999
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.108762699091640
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.985084239466444E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.459974815813390
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.177432097833565
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.242601404699573
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.513749877771874
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-8.677421108170380E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.712449818778195
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.797396422816440E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.131431509035845
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.108341133373675
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.51944649289262
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.513402106578471
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.275837893665959
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.769847362717781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.712449818778195
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.797396422816440E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.131431509035845
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.108341133373675
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.51944649289262
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.513402106578471
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.275837893665959
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.769847362717781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.895171456346692
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.772979264595929
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.173267480066726
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.144228407867514
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.15666110299812
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.279263706552155
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.054060634137718E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.166939546838892
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.895171456346692
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.772979264595929
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.173267480066726
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.144228407867514
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.15666110299812
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.279263706552155
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.054060634137718E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.166939546838892
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.470339659476633
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.717855129918608
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.115262740741248
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.201321256792839
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.555675595373074
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.241641752546391
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-9.714281167109204E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.208281085318622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.470339659476633
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.717855129918608
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.115262740741248
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.201321256792839
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.555675595373074
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.241641752546391
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-9.714281167109204E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.208281085318622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.317938109954220
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.427755331274639
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-7.309952431018396E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.154206313111705
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.355375366078192
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.844431242382984E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.540921238295219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.124218620447505
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.317938109954220
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.427755331274639
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-7.309952431018396E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.154206313111705
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.355375366078192
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.844431242382984E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.540921238295219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.124218620447505
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.821039933098154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.474918979098556E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.287048269151257
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.501662597147202
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.475238498102987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.985978479703126E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.739371252896057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.397538348737084E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.821039933098154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.474918979098556E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.287048269151257
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.501662597147202
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.475238498102987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.985978479703126E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.739371252896057E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.397538348737084E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.125271210095612
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.197179787545691
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.710266603445165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.359103804703792
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.887905318006675E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.228100878891309
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.163972510143018
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.559314441556134
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.125271210095612
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.197179787545691
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.710266603445165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.359103804703792
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.887905318006675E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.228100878891309
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.163972510143018
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.559314441556134
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.336181931399822E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.237341010523295E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.264807688701059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.662511025843181E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.994032509924012E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.181715684377512E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.188699025614040
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.204404837673041
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.336181931399822E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.237341010523295E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.264807688701059E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.662511025843181E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.994032509924012E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.181715684377512E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.188699025614040
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.204404837673041
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.241394000022552E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.709298124333315E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.396435735397346E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.189008777882659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.062007444497006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.334792509136372E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.009031424658246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.248504516625775E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.241394000022552E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.709298124333315E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.396435735397346E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.189008777882659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.062007444497006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.334792509136372E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.009031424658246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.248504516625775E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.942910791889269E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
5.579629466527334E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
8.490404382418591E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.846882537676859E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.589702812927001E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.877643711685260E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.942910791889269E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
5.579629466527334E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
8.490404382418591E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.846882537676859E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.589702812927001E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.877643711685260E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.111346468449897
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.108287571405430
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.284573684643732
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.136866812425132
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.818023312190468E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.248277347302601
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.418595881348608
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.076535242892390E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.111346468449897
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.108287571405430
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.284573684643732
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.136866812425132
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.818023312190468E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.248277347302601
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.418595881348608
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.076535242892390E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.203487904767257
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.809419260686261E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.719738461213360E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.139311664336146
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.259332535994728
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.886321026466095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.207292756700592E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-8.141072118832231E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.203487904767257
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.809419260686261E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.719738461213360E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.139311664336146
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.259332535994728
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.886321026466095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.207292756700592E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-8.141072118832231E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.134684930411629
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.156379771206927E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.447840703274448E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.876764801813505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.693260258503605E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.930666741614845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.385093694796476E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.675497766316950
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.134684930411629
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.156379771206927E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.447840703274448E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.876764801813505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.693260258503605E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.930666741614845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.385093694796476E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.675497766316950
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.743560797476462E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.347723059309327
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.743560797476462E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.347723059309327
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.158919429615937
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.175882096695224
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.158919429615937
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.175882096695224
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.914257427208116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.586702862631779E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.914257427208116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.586702862631779E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.132665863820178E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.101092467698542
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.132665863820178E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.101092467698542
DAV: 59 -0.551163299470E+05 -0.43297E+05 -0.54318E+05 118 0.358E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 47.95495 new 48.46190
0.243E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.673668431555806E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.324041959770358
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.210314976137723
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.330025120886992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.888131342651947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.381289677636817
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.366512934355738
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.128571185827873
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.673668431555806E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.324041959770358
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.210314976137723
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.330025120886992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.888131342651947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.381289677636817
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.366512934355738
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.128571185827873
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.232576815745326E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.421885841534498
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.102281934431835
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.884294248847208E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.141305077618563
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.548548197698765
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.029684362494254E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.835704776054052E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.232576815745326E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.421885841534498
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.102281934431835
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.884294248847208E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.141305077618563
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.548548197698765
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.029684362494254E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.835704776054052E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.531143624361313
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.372284165413772
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.26224114033040
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.921736400782358
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.641438094031529
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.256525000213897
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.462141634717470
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.859729299062452
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.531143624361313
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.372284165413772
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.26224114033040
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.921736400782358
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.641438094031529
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.256525000213897
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.462141634717470
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.859729299062452
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.47729703555391
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.25732524864032
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.541247908493527
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.52478102930078
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.13595104579042
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.849689611102164
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.89857714468230
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.38845617988541
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.47729703555391
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.25732524864032
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.541247908493527
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.52478102930078
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.13595104579042
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.849689611102164
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.89857714468230
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.38845617988541
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.66844585101522
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.50352554650201
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.24954520865759
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.64895726700293
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.24359550637070
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.32958452157238
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.80322075002226
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.68318255360951
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.66844585101522
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.50352554650201
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.24954520865759
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.64895726700293
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.24359550637070
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.32958452157238
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.80322075002226
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.68318255360951
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.665718150182050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.105304903024643
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.329142311559297
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.266083970462127
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.285581446258031
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.334294488405784
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.286759871372137E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.02163927724604
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.665718150182050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.105304903024643
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.329142311559297
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.266083970462127
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.285581446258031
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.334294488405784
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.286759871372137E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.02163927724604
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.316589978516702E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.287337714910336
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
7.146785601966930E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.295949760112692
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.219168481585718
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
5.441141172711549E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.398662926788594
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.338148487600241
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.316589978516702E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.287337714910336
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
7.146785601966930E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.295949760112692
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.219168481585718
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
5.441141172711549E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.398662926788594
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.338148487600241
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.248340859831642
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.399479863742997
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.481579229056558
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.34955204614285
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.00649145029212
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.251384604088808
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.41570213599633
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.203274042796546
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.248340859831642
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.399479863742997
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.481579229056558
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.34955204614285
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.00649145029212
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.251384604088808
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.41570213599633
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.203274042796546
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.10660854070508
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.07436009431323
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.02481320421904
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.74244947665103
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.36135332481023
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.612837751730258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.64491780175682
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.209136113910310
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.10660854070508
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.07436009431323
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.02481320421904
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.74244947665103
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.36135332481023
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.612837751730258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.64491780175682
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.209136113910310
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.51981383518342
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.58342548657120
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.32239648494011
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.22395337452189
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.44094301444257
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-5.833769839579988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.58129510778997
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.816372061820398E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.51981383518342
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.58342548657120
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.32239648494011
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.22395337452189
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.44094301444257
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-5.833769839579988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.58129510778997
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.816372061820398E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.235848850774327
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.201953483023100E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.539041198327598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.601780906738561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.694373235584333
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.101163365449782
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.695281767240816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.793693404924767E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.235848850774327
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.201953483023100E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.539041198327598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.601780906738561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.694373235584333
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.101163365449782
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.695281767240816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.793693404924767E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.215357151150103
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.125237684892620
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.144532915094681
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.876450807198257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.253867688999803E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.553818332756945
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.146860200923910
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.520891176319209
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.215357151150103
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.125237684892620
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.144532915094681
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.876450807198257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.253867688999803E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.553818332756945
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.146860200923910
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.520891176319209
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.834496146108094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.128955136446621
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.156920707027958E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.959921060979610E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.715489010455424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.169991102545190
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.695847184924723E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.265209218186738
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.834496146108094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.128955136446621
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.156920707027958E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.959921060979610E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.715489010455424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.169991102545190
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.695847184924723E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.265209218186738
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.802702422066138E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.190562814969300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
6.474155424243300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.353445502920930E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.181864171103219
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.116493119974902
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.115210235018504
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.157250737590957
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.802702422066138E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.190562814969300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
6.474155424243300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.353445502920930E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.181864171103219
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.116493119974902
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.115210235018504
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.157250737590957
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.750101430511350E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.365674851943487
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.122868110427358
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.496395929130716
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.277196916699021
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.155091165903667
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.118537756966814E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.183153356036674
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.750101430511350E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.365674851943487
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.122868110427358
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.496395929130716
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.277196916699021
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.155091165903667
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.118537756966814E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.183153356036674
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.302003448041480E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.209827787209789E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.149464564621831
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.786237293590740
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.186536942200370
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.997642703708873E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.008899680842469E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.120346294603860
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.302003448041480E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.209827787209789E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.149464564621831
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.786237293590740
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.186536942200370
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.997642703708873E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.008899680842469E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.120346294603860
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.204987201183084E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.391552775723758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.108045857952737
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.487705927779860
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.120814436425643
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.137903867442156
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-4.305438277608305E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-6.835338913779328E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.204987201183084E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.391552775723758E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.108045857952737
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.487705927779860
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.120814436425643
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.137903867442156
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-4.305438277608305E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-6.835338913779328E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.252042141457960E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.888984322247761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.320007669291316E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.267322278492855
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-6.211065189419805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.124126049711766
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.997308218779880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-9.094736512144043E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.252042141457960E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.888984322247761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.320007669291316E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.267322278492855
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-6.211065189419805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.124126049711766
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.997308218779880E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-9.094736512144043E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.881577925452219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.427355693389276
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.881577925452219E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.427355693389276
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.171979203837644
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.118456466504934
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.171979203837644
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.118456466504934
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.305298084817431
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.652836599821677E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.305298084817431
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.652836599821677E-003
DAV: 60 -0.845440468425E+05 -0.29428E+05 -0.79463E+05 116 0.404E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 48.46190 new 46.08651
0.394E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.226724573304011E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.811752625500119E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.451461445063352E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.296846221116487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.164636686692601
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.167200133015324
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.963417510159825E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.507890911464951
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.226724573304011E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.811752625500119E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.451461445063352E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.296846221116487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.164636686692601
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.167200133015324
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.963417510159825E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.507890911464951
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.161042904886066
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.655529840099032E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.513990137847208E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.969024666104411
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.220939553941983
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.171497772089718
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.234868351792757
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.210603431081581
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.161042904886066
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.655529840099032E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.513990137847208E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.969024666104411
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.220939553941983
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.171497772089718
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.234868351792757
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.210603431081581
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.182890336915922
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.165289067233894
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.111902798252792
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.13037250104203
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.335808717534870
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.416064630639943
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.37653407564032
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.525545772629944
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.182890336915922
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.165289067233894
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.111902798252792
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.13037250104203
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.335808717534870
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.416064630639943
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.37653407564032
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.525545772629944
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.865365401290329E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.192229219362208
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.084685076937977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.150464732167146
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.545049857521095
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.514872221578211E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.695471478231988
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.543292673354010
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.865365401290329E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.192229219362208
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.084685076937977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.150464732167146
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.545049857521095
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.514872221578211E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.695471478231988
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.543292673354010
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.01039290319493
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.27211434117293
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.143774833962994
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.271709303328137
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.438126343147568
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.855057297740072E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.480808631123229
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.358044866902324
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.01039290319493
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.27211434117293
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.143774833962994
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.271709303328137
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.438126343147568
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.855057297740072E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.480808631123229
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.358044866902324
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.30607855747406
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.987313875473784
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.314812922820781
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.334518150000842
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.05897568186570
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-9.344557505765572E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.80206970488422
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.67308939906617
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.30607855747406
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.987313875473784
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.314812922820781
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.334518150000842
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.05897568186570
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-9.344557505765572E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.80206970488422
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.67308939906617
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.21820631994543
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.387131096559322
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.287577264865678
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.557411323510786
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.504433732153250
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.567116481678784
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.30261690448528
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.322813786293551
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.21820631994543
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.387131096559322
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.287577264865678
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.557411323510786
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.504433732153250
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.567116481678784
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.30261690448528
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.322813786293551
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.974636424978097
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.839974229249630
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.716095040618875
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.552988513141981
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.334056320844640
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.725681044811337
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.743337357979724
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.378817839878684
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.974636424978097
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.839974229249630
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.716095040618875
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.552988513141981
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.334056320844640
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.725681044811337
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.743337357979724
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.378817839878684
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.113846128082622
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.362664433471846
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.108811932306979
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.240670323625149
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.100922004407085
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.325980487152544
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.400075113699701E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.090955517424417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.113846128082622
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.362664433471846
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.108811932306979
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.240670323625149
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.100922004407085
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.325980487152544
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.400075113699701E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.090955517424417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.57439655870610
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.784072449246965
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.233307398115158
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.971232373640925
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.306420902034683
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.148554464574359
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.165422594162743
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.143622787179640
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.57439655870610
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.784072449246965
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.233307398115158
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.971232373640925
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.306420902034683
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.148554464574359
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.165422594162743
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.143622787179640
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.16400328438521
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.341612352949333
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.229043795781386
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.01233722226156
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.341531387637504E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.703964780104228E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.533754474337836
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.334032378070544
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.16400328438521
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.341612352949333
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.229043795781386
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.01233722226156
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.341531387637504E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.703964780104228E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.533754474337836
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.334032378070544
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.32936124891270
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-9.075589935262637E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.724122294074008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.273978355522067
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.021511995756198E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.619343184640934E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.40269957807315
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.143573174541515
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.32936124891270
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-9.075589935262637E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.724122294074008E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.273978355522067
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.021511995756198E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.619343184640934E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.40269957807315
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.143573174541515
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.44039761862072
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.722804734708427
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.211404539048459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-3.040920112263592E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.478831023191073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.249310935596318E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.75337570145064
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.451044597497089E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.44039761862072
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.722804734708427
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.211404539048459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-3.040920112263592E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
5.478831023191073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.249310935596318E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.75337570145064
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.451044597497089E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.706401185221972E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.538318723503588
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.263515567548283
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.369435884623564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.172395680394082
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.144503496206840
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.552630629147927
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.226961816236514E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.706401185221972E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.538318723503588
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.263515567548283
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.369435884623564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.172395680394082
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.144503496206840
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.552630629147927
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.226961816236514E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.307246131544438E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.378594583456839
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
7.593223503095958E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.195426840808612
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.287290699212858
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.220330465993982E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.654841111442253
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.827340900100220
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.307246131544438E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.378594583456839
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
7.593223503095958E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.195426840808612
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.287290699212858
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.220330465993982E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.654841111442253
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.827340900100220
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.162999394838568
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.186291150195560
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.629528767142895
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-6.677745500021122E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.186624287474424
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.523211362915486
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.248633387682197
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.147393569974045
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.162999394838568
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.186291150195560
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.629528767142895
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-6.677745500021122E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.186624287474424
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.523211362915486
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.248633387682197
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.147393569974045
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
7.403304789788528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.443371785196580E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.325334174280323
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-6.985343881974612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-9.689193698050505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.510415081971944
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.035250016550908E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.363715033052262
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
7.403304789788528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.443371785196580E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.325334174280323
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-6.985343881974612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-9.689193698050505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.510415081971944
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.035250016550908E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.363715033052262
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.216039547057473E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.428908024065553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.259172777350519
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.361652687155415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.030220591480997E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.484133375093549
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.600819191169560E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.314015939920689
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.216039547057473E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.428908024065553E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.259172777350519
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.361652687155415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.030220591480997E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.484133375093549
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.600819191169560E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.314015939920689
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.237024782714264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.393508371695994E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.237024782714264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.393508371695994E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.229412139773565
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.588947172360032
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.229412139773565
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.588947172360032
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.108002471393940
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.248988895636263
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.108002471393940
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.248988895636263
DAV: 61 -0.156912492070E+06 -0.72368E+05 -0.13947E+06 116 0.499E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.08651 new 45.74570
0.538E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.837555560185334E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.454948018717258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.405540689388286
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.128657203311802
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.173169689293600
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.352252783446990
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.658610596941425E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.478069897474201E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.837555560185334E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.454948018717258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.405540689388286
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.128657203311802
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.173169689293600
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.352252783446990
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.658610596941425E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.478069897474201E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.169283634634561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.323257490615963
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.125425455789637
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.787811481098224E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.663167940657340
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.16995097751130
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.84441042049220
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.50530644297403
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.169283634634561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.323257490615963
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.125425455789637
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.787811481098224E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.663167940657340
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.16995097751130
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.84441042049220
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.50530644297403
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.44909300306352
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.75205279911365
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.260516319490991
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.178960355879046
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.79639082866913
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.84889762918981
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.52971950795250
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.72976087742688
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.44909300306352
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.75205279911365
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.260516319490991
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.178960355879046
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.79639082866913
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.84889762918981
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.52971950795250
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.72976087742688
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.12914792673586
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.47650858959645
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.457961723717386
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.14991381220217
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.30745559023889
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.12340832278935
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.00854756005273
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.32584876752694
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.12914792673586
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.47650858959645
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.457961723717386
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.14991381220217
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.30745559023889
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.12340832278935
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.00854756005273
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.32584876752694
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.33023128286210
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.83119015748867
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.44125430041628
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.19942397640053
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.33732982451057
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.81445216322683
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.74358618536990
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.26789320460720
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.33023128286210
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.83119015748867
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.44125430041628
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.19942397640053
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.33732982451057
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.81445216322683
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.74358618536990
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.26789320460720
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.699869795946774E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.123325870165823
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.243547320392751E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
5.141605302018302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.177842377089955
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.206979556344212
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.367058596631062
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.902267902630733E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.699869795946774E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.123325870165823
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.243547320392751E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
5.141605302018302E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.177842377089955
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.206979556344212
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.367058596631062
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.902267902630733E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.310623990541674
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.157684390980568
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.622993309771635
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.499369517735698E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.218185824055617
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.177282483992913
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.838304113599860
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.632060398589466
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.310623990541674
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.157684390980568
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.622993309771635
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.499369517735698E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.218185824055617
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.177282483992913
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.838304113599860
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.632060398589466
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.342173680726162
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.419133735596600
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.37693398245608
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.573182318783275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.04998081930774
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.14522219744089
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.952439138057676
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.51299609921441
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.342173680726162
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.419133735596600
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.37693398245608
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.573182318783275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.04998081930774
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.14522219744089
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.952439138057676
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.51299609921441
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.173663343414731
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.255660504004233
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.090040960409693E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.208141958418441
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.498035232016239
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.237740106708152
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.154173299158109
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.106466610330557
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.173663343414731
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.255660504004233
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.090040960409693E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.208141958418441
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.498035232016239
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.237740106708152
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.154173299158109
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.106466610330557
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.452484898381559
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.179305440944192
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.976584101281284E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.228441320393447E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.234088837634996
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.221617437906610
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.244338176000584
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.644066005037147
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.452484898381559
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.179305440944192
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
3.976584101281284E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.228441320393447E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.234088837634996
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.221617437906610
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.244338176000584
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.644066005037147
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.55056227750959
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.583136018068560
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.104660796917435
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.206505747670430
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.119039891373177
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.10521134888812
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.52712468740039
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.19597713284823
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.55056227750959
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.583136018068560
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.104660796917435
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.206505747670430
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.119039891373177
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.10521134888812
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.52712468740039
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.19597713284823
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.26031441354256
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.531977862179088
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-6.742922004485594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.463034335812885
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.777104082004188E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.27814237084097
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.45641441452340
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.93606471262192
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.26031441354256
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.531977862179088
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-6.742922004485594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.463034335812885
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
7.777104082004188E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.27814237084097
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.45641441452340
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.93606471262192
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.05924398288400
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.381112278667281
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.182159680683823
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.389814466303069
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.251474442751003E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.20340263931749
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.46833342739742
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.92196997246846
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.05924398288400
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.381112278667281
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.182159680683823
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.389814466303069
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
4.251474442751003E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.20340263931749
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.46833342739742
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.92196997246846
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.939654713245730E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.560928318655586E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.124188353727445
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.142368306071713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.114868467897217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
5.713360361127968E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.631863446745191E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.571550453519515E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.939654713245730E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.560928318655586E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.124188353727445
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.142368306071713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.114868467897217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
5.713360361127968E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
6.631863446745191E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.571550453519515E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.631009876995467E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.554606175219094
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.254670262302097
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.594602715223789E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.105837599076820
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.574430626792898E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.240692497237997
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.414707266656885
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.631009876995467E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.554606175219094
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.254670262302097
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.594602715223789E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.105837599076820
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.574430626792898E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.240692497237997
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.414707266656885
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.720714557940478E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.536701192111232
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.991829595905262E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.171580728495862E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.553961724002745
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.269168094937260
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.365886162437955
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.281798155017458
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.720714557940478E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.536701192111232
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.991829595905262E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.171580728495862E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.553961724002745
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.269168094937260
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.365886162437955
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.281798155017458
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.812502577694161E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.816916311332230
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.730494955414092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.322013366548805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.628707308752406
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.441183630346368
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.181978875171408
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.26287056594472
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.812502577694161E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.816916311332230
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.730494955414092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.322013366548805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.628707308752406
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.441183630346368
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.181978875171408
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.26287056594472
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.612151034064511E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.944223659713598
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
7.929054818202587E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.996747840453641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.790144489187045
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.673500172118639
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.906234440476266
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.57540605969860
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.612151034064511E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.944223659713598
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
7.929054818202587E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.996747840453641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.790144489187045
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.673500172118639
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.906234440476266
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.57540605969860
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.333355558787100E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.697854955192676
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.333355558787100E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.697854955192676
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.195060082654751E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.38428913672525
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.195060082654751E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.38428913672525
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.30123526821868
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.18784966365633
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.30123526821868
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.18784966365633
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.11730885641167
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.97664317619691
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.11730885641167
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.97664317619691
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.13237832863745
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.99000755183781
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.13237832863745
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.99000755183781
DAV: 62 -0.277594300880E+06 -0.12068E+06 -0.26982E+06 120 0.514E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.74570 new 45.94349
0.376E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.110318675559972
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.105932814431260
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.280495418128955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.527301305648521
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.468200455653882
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.328785613087850
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.465530002586259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.150392763422901
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.110318675559972
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.105932814431260
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.280495418128955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.527301305648521
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.468200455653882
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.328785613087850
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.465530002586259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.150392763422901
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.858136932209203E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.179426086681244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.538079277168596
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.645006408923217
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.406585831897418
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
8.443600429238601E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.585358377155420E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.483760014971568E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.858136932209203E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.179426086681244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.538079277168596
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.645006408923217
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.406585831897418
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
8.443600429238601E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.585358377155420E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.483760014971568E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.602838108330649
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.481818200161401E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.07059161507941
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.231581373710312
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.276643251487860
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.178479025806887
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.581701444044327
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.678166937370451
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.602838108330649
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.481818200161401E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.07059161507941
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.231581373710312
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.276643251487860
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.178479025806887
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.581701444044327
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.678166937370451
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.731886969285272
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.316547539434958
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-2.509864267307509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.174373661104054
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.904130991031129E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.222664288378965
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.176014971622692
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.366276769478946
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.731886969285272
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.316547539434958
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-2.509864267307509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.174373661104054
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.904130991031129E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.222664288378965
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.176014971622692
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.366276769478946
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.513889894628917
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.160828424341642
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.479919331869647
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.563359101114140
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.273260695722961
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.80845427473349
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.214298999510488
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.384477559773060E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.513889894628917
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.160828424341642
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.479919331869647
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.563359101114140
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.273260695722961
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.80845427473349
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.214298999510488
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.384477559773060E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.37467369671773
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.597194566792272
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.306800504153840
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.950345639298440
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.010836413994719E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.29115928119817
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.268054733888645
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.284415135596760
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.37467369671773
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.597194566792272
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.306800504153840
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.950345639298440
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.010836413994719E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.29115928119817
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.268054733888645
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.284415135596760
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.228927940939979
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.085723207207604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
8.949014806093007E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.161884978009970
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.163880415496134
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.104176468858821
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
4.776857843434308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.982004828561264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.228927940939979
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.085723207207604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
8.949014806093007E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.161884978009970
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.163880415496134
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.104176468858821
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
4.776857843434308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.982004828561264E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.478961810469331
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.507241786800329
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.250271801866539E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.341269029319079
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.602968574331656
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.188125883007427
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-5.618582105567051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-8.927323062678402E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.478961810469331
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.507241786800329
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.250271801866539E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.341269029319079
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.602968574331656
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.188125883007427
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-5.618582105567051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-8.927323062678402E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.140829423511499
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.24641811632130
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.126915216017875
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.391431242384784
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.224257128974244
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.365917368166419
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.875646308419229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.838517193268536E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.140829423511499
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.24641811632130
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.126915216017875
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.391431242384784
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.224257128974244
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.365917368166419
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.875646308419229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.838517193268536E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.407412298037921
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.385737543449990
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.689776334073230E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.221658484758185
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.146864139659212
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.168480075791325
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.834750618551225E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.152225919916443
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.407412298037921
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.385737543449990
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.689776334073230E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.221658484758185
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.146864139659212
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.168480075791325
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.834750618551225E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.152225919916443
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.734067160038947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.411637058641606E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.161792225523099E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.599407586586899E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.118168407475858
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.161823644767252
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.196760991447886
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.205918210585363
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.734067160038947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.411637058641606E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.161792225523099E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
6.599407586586899E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.118168407475858
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.161823644767252
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.196760991447886
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.205918210585363
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.849465415127632E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.111069016500077
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.131058129854373
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.742840058499738E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.270605388738663
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.816180616769846E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.262204991958006
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.189270644991135
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.849465415127632E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.111069016500077
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.131058129854373
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.742840058499738E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.270605388738663
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.816180616769846E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.262204991958006
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.189270644991135
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.247379997589481E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.143937893434700
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.247379997589481E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.143937893434700
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.273221822532570
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.387154827038349
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.273221822532570
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.387154827038349
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.67228107468741
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.177872809391715
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.67228107468741
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.177872809391715
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.59377758002602
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.119163029572844E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.59377758002602
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.119163029572844E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.55027705152365
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.143206232266315
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-1.55027705152365
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.143206232266315
DAV: 63 -0.375219425666E+04 0.27384E+06 -0.96279E+03 72 0.534E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.94349 new 46.35438
0.945E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.290062168221483
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.483413657091508
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.145071278220060
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.371833109309503E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.542118703831326
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.768796292864982E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.277219199731314
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.231374142121086E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.290062168221483
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.483413657091508
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.145071278220060
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.371833109309503E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.542118703831326
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.768796292864982E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.277219199731314
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.231374142121086E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.666389249100281
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.444603390434529
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-9.048602359859641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.209184881215557
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.376392643603807
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.952628312754332E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.840470744912905E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.695598405090673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.666389249100281
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.444603390434529
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-9.048602359859641E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.209184881215557
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.376392643603807
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.952628312754332E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.840470744912905E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.695598405090673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.516521591472090
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.495528927352732
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.132629976311985
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.529467932925310E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.559761467232623E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.812292765279134E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.261426000881008
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.198635180429837
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.516521591472090
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.495528927352732
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.132629976311985
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.529467932925310E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.559761467232623E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.812292765279134E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.261426000881008
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.198635180429837
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.394239559365880
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.558159711892484
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.032221901746966E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.268932960004620E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.133183487967540
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.217416529030055E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.475886428333390E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.364940548080897E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.394239559365880
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.558159711892484
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.032221901746966E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.268932960004620E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.133183487967540
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.217416529030055E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.475886428333390E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.364940548080897E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.348834175729340
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.530462697994880
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.338157530994178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.668757998945894E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.410961007423974E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
8.878499607766325E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.599255051437893E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.593424639715338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.348834175729340
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.530462697994880
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.338157530994178E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.668757998945894E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.410961007423974E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
8.878499607766325E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.599255051437893E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.593424639715338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
8.221617370672845E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.317695516773964E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
7.729467745735893E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.311163154418620E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.376434904217278
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.867199534262024E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.180644615442343
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.701749528488445E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
8.221617370672845E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.317695516773964E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
7.729467745735893E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.311163154418620E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.376434904217278
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.867199534262024E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.180644615442343
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.701749528488445E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.191583460246575
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.534294046762580E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.205123312447764E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.464975866487643E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.100871915199425
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.127229966780243
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.203282725265137
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.257099615210307
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.191583460246575
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.534294046762580E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.205123312447764E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.464975866487643E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.100871915199425
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.127229966780243
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.203282725265137
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.257099615210307
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.170411699243090E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.286788442918748E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.898498886775476E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.837653918841618E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.117062023284442
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.727449138792942E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.169977092875867
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.156533390845290
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.170411699243090E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.286788442918748E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.898498886775476E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.837653918841618E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.117062023284442
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.727449138792942E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.169977092875867
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.156533390845290
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.595478764067949E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.190069035303307E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.707171752586598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.715991259469925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.882713718469919E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.342676242774888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.122337689403569
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.313335532562874E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.595478764067949E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.190069035303307E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.707171752586598E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.715991259469925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.882713718469919E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.342676242774888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.122337689403569
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.313335532562874E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-4.600406397647527E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.430924523555462E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.128217447825551E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.410640727059053E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.178282855613988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.903924419957153E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.787323910501200E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.499414478997810E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-4.600406397647527E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.430924523555462E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.128217447825551E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.410640727059053E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.178282855613988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.903924419957153E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.787323910501200E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.499414478997810E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.255778004108729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.112480105587842E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.892851003990363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
9.873281998200534E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.708771325414591E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.102383601521222
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.446031230234790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.168318597867360
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.255778004108729E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.112480105587842E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.892851003990363E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
9.873281998200534E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.708771325414591E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.102383601521222
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.446031230234790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.168318597867360
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.655046754626548E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.146771823237681
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.411273029539870
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.033220926676395E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.202872806308323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.121503549062847
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.483583805088847
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.621941788555223E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.655046754626548E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.146771823237681
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.411273029539870
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.033220926676395E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.202872806308323E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.121503549062847
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.483583805088847
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.621941788555223E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.423395553397689E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.665150655871711E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.922133900197357E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.276312825871985E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.478754767969974
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.793833408976829E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.320206872047540
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.289427397367914
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.423395553397689E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.665150655871711E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.922133900197357E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.276312825871985E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.478754767969974
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.793833408976829E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.320206872047540
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.289427397367914
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.436625040854116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.193682224405674E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.266205605684938E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.534274614419335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.947953083730864E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.793699766294761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.074241606840492E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.841921004078495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.436625040854116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.193682224405674E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.266205605684938E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.534274614419335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.947953083730864E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.793699766294761E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.074241606840492E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.841921004078495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.215912671349456
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.497233082199273
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.477426587924479
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.396899597348967
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.276363390873598
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.583205934953509
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.456707833913716
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.261661318407000
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.215912671349456
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.497233082199273
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.477426587924479
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.396899597348967
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.276363390873598
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.583205934953509
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.456707833913716
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.261661318407000
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.28097324211422
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.47248709369455
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.886406994388726
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.67702741206976
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.39058370077495
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.53300148825710
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.79420185414612
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.26401603518893
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.28097324211422
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.47248709369455
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.886406994388726
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.67702741206976
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.39058370077495
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.53300148825710
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.79420185414612
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
2.26401603518893
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.54714138946160
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.57355028326828
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.75578899587176
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.04978291350190
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.51892914659220
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.25653792488623
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.12975522893052
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.68205536161176
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.54714138946160
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.57355028326828
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.75578899587176
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
2.04978291350190
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.51892914659220
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.25653792488623
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.12975522893052
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.68205536161176
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.51937105652514
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.55693682556519
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.96024475068720
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.06181526730193
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.53215846007981
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.29230583369261
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.09535830695781
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.80258828586460
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.51937105652514
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.55693682556519
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.96024475068720
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.06181526730193
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.53215846007981
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.29230583369261
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.09535830695781
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
2.80258828586460
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.350999085276553
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.608285822227310
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.350999085276553
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.608285822227310
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.073604326481466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.378508668084333
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.073604326481466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.378508668084333
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.968961869436326E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.415023027493413
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.968961869436326E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.415023027493413
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.721971185644558E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.160395810798924
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.721971185644558E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.160395810798924
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.184854700816009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.350267086804738
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.184854700816009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.350267086804738
DAV: 64 -0.868698436949E+05 -0.83118E+05 -0.65890E+04 120 0.204E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.35438 new 46.64059
0.223E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.336061417003829
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.745798284232000E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.537345856350395E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.201023048551188
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.177255452040659
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.346957683223291
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.156049827953339
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.247558223244684E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.336061417003829
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.745798284232000E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.537345856350395E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.201023048551188
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.177255452040659
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.346957683223291
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.156049827953339
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.247558223244684E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.142643083802690
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.915876572993445E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.117150944373659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.264456172331785E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.218594728573549
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.595267550552273E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
8.826895881724463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.165407723092234
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.142643083802690
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.915876572993445E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.117150944373659E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.264456172331785E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.218594728573549
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.595267550552273E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
8.826895881724463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.165407723092234
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.534222613306119
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.843136343194004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.457822810850107
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.212141950763709
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.562866058516681
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.795224001086610E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.237182675574326
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.340592326856612
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.534222613306119
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.843136343194004
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.457822810850107
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.212141950763709
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.562866058516681
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.795224001086610E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.237182675574326
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.340592326856612
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.59251332207321
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.34156135768333
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.76723981794076
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.350107393415801
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.798006076383858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.262747612417298
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.222685747431379
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.15780053479103
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.59251332207321
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.34156135768333
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.76723981794076
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.350107393415801
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
9.798006076383858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.262747612417298
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.222685747431379
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.15780053479103
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.85279960519217
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.10303898156175
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.83593901875740
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.492499970779729
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.06155749125290
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.368942466437900
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.267211663201255
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.69269284290978
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.85279960519217
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.10303898156175
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
1.83593901875740
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.492499970779729
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.06155749125290
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.368942466437900
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.267211663201255
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.69269284290978
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.788210422189155
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.531306631487742E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.160442797390673
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.581908488428199
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.339358152098204
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.146427317790361
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-8.855277865387463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.410753302319832
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.788210422189155
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.531306631487742E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.160442797390673
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.581908488428199
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.339358152098204
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.146427317790361
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-8.855277865387463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.410753302319832
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.642506498382264
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.507926348143488
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.448263018755497
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.06127685817891
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.455459632462778
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.01139916418787
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.218406338583126
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.44657121833903
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.642506498382264
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.507926348143488
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.448263018755497
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.06127685817891
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.455459632462778
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.01139916418787
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.218406338583126
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.44657121833903
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.369569348547985
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.66427322439886
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.456499003881604
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.30946293096798
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.188968034207280
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.76691419204404
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.189584747330324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.88189287530329
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.369569348547985
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.66427322439886
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.456499003881604
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.30946293096798
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.188968034207280
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.76691419204404
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.189584747330324E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.88189287530329
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.678778955899678
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.22163346488341
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.41363643655156
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.41339873473093
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.272651380427762E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.47947090198147
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.809775467597918E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.81944700439536
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.678778955899678
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.22163346488341
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
2.41363643655156
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.41339873473093
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.272651380427762E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.47947090198147
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.809775467597918E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.81944700439536
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.76547312993781
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.37172876029411
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.89024779264412
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.44378286931633
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.258732216914043E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.52207706927439
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-8.376799251877366E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.73488847394856
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.76547312993781
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.37172876029411
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.89024779264412
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.44378286931633
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.258732216914043E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.52207706927439
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-8.376799251877366E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.73488847394856
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.117970165138019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.216929624007119
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.118116028374020
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.386554038329800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.192335442222970
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.470267764080634E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.618850627155664E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.269165848600735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.117970165138019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.216929624007119
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.118116028374020
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.386554038329800E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.192335442222970
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.470267764080634E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.618850627155664E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.269165848600735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.552486801895589E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.321567196168729
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.189026107971430
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.474202585587337
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.246282530623755E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.457638063465837E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.175627110980304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.267565972648013
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.552486801895589E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.321567196168729
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.189026107971430
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.474202585587337
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.246282530623755E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.457638063465837E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.175627110980304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.267565972648013
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.433426192448062E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.514723314332209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.243659737321349E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.148903868669919
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.366799344122488E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.587888134302078E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.996224122905912E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.162666590669673
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.433426192448062E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.514723314332209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.243659737321349E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.148903868669919
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.366799344122488E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.587888134302078E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.996224122905912E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.162666590669673
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
6.065048073742912E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-7.695359701843510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.084438033332520E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.680935454205612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.750226648333834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-6.739265737238348E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.286820302011908E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
6.065048073742912E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-7.695359701843510E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.084438033332520E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.680935454205612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.750226648333834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-6.739265737238348E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.286820302011908E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.084766539464962E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.884589968954802E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.092037987137279E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.131364991053834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.169843295446272E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.046546740300019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.591104180689053E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.463881822324670E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.084766539464962E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.884589968954802E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.092037987137279E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.131364991053834E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.169843295446272E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.046546740300019E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.591104180689053E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-3.463881822324670E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.135357897742533
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.894811530024961E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.268491368274731E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.142670990435391
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.174504834425282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.598468066884881E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.950474733162980E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.483477421017466
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.135357897742533
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.894811530024961E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.268491368274731E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.142670990435391
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.174504834425282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.598468066884881E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.950474733162980E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.483477421017466
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.215667253928427E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.749535435707550E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.479741901787866E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.588636366850487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.162234433197423
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.221615681886505
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.225678904659650
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
8.121093880908457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.215667253928427E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.749535435707550E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.479741901787866E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.588636366850487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.162234433197423
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.221615681886505
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.225678904659650
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
8.121093880908457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.414355358334239
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.176575241423323
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.171050812182274
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.478163022973433
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.132125126200082
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.464306223777405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.059924257680006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.107963144232609
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.414355358334239
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.176575241423323
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.171050812182274
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.478163022973433
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.132125126200082
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.464306223777405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.059924257680006E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.107963144232609
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.298083691100874
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
9.949847185967199E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.106232074541057
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.438789286915462
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.128345783629639
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.847104507260393E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.648968759145424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.788676149682917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.298083691100874
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
9.949847185967199E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.106232074541057
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.438789286915462
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.128345783629639
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.847104507260393E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.648968759145424E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.788676149682917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.159986377645493
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.792305133296731E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
3.825373504437901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.258354739832611
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.614058401126781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
6.862830968928935E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
5.617940421476304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.938541231108486E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.159986377645493
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.792305133296731E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
3.825373504437901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.258354739832611
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.614058401126781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
6.862830968928935E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
5.617940421476304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.938541231108486E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.587903067142199E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.227018863873369
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.587903067142199E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.227018863873369
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.161353896292551
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.242380567496033
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.161353896292551
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.242380567496033
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.336315115000261
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
5.501560901572697E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.336315115000261
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
5.501560901572697E-002
DAV: 65 -0.678392241984E+05 0.19031E+05 -0.65842E+05 132 0.366E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.64059 new 45.59422
0.359E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.365270021344735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.225498523311277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.119849325546904
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.523101396230767
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.414425525118882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.422427547289956
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.509597230054875E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-6.773624068991094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.365270021344735E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
7.225498523311277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.119849325546904
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.523101396230767
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.414425525118882E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.422427547289956
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-4.509597230054875E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-6.773624068991094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.999150686221944E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.167034798993421
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.401654152731181
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.256073968138222
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.158714794826646
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.110205779820974E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.303804263676512
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.367906168897342
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.999150686221944E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.167034798993421
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.401654152731181
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.256073968138222
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.158714794826646
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.110205779820974E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.303804263676512
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.367906168897342
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.711908969409076
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.021374233132726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.794127065178415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.881597354760414
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.937050999296861
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.287593519830782
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.340436120217477E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.130392327849315
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.711908969409076
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.021374233132726E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.794127065178415E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.881597354760414
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.937050999296861
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.287593519830782
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.340436120217477E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.130392327849315
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.32434553974000
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.230803992808203
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.497294044513645
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.68469127606261
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.09826309517465
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.831330208932731
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.26206359686114
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.839117881215042
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.32434553974000
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.230803992808203
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.497294044513645
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.68469127606261
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.09826309517465
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.831330208932731
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.26206359686114
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.839117881215042
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.15587530635741
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.632123433890039
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.375453895258273
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.73292234940380
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.15213044245615
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.958780656019923
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.88345196181756
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.06486817107992
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.15587530635741
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.632123433890039
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.375453895258273
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.73292234940380
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.15213044245615
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.958780656019923
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.88345196181756
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.06486817107992
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.213405213103412
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.736535578003960E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.670667617823678E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.119680763371510
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.245455783038459
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.528677964036901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.334742703572507
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.310420404594346
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.213405213103412
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.736535578003960E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.670667617823678E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.119680763371510
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.245455783038459
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.528677964036901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.334742703572507
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.310420404594346
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.06629204237054
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.63758038899560
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.268394464885076E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.458262436572277E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.678436723701364E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.218062802977401
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.005126334829828E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.436623605754780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.06629204237054
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.63758038899560
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.268394464885076E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.458262436572277E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.678436723701364E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.218062802977401
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.005126334829828E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.436623605754780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.28005525414898
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.40208685030216
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.744030558831629
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.350917470745308
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.327126260038416
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.20944772449934
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.472508780379655
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.662714710571475
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.28005525414898
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.40208685030216
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.744030558831629
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.350917470745308
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.327126260038416
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.20944772449934
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.472508780379655
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.662714710571475
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.107326717224294
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.229834901177487
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.279313579420496
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.248732112697948
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.631639517361965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.549444893377475
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.289130473334299
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.451822967861190E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.107326717224294
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.229834901177487
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.279313579420496
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.248732112697948
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.631639517361965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.549444893377475
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.289130473334299
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.451822967861190E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.918482898539519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.254363348582313
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.962736357104259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.365673346300989E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.229894864278956
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.903611461692986E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-7.675694702242780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.167938777998666
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.918482898539519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.254363348582313
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.962736357104259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.365673346300989E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.229894864278956
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.903611461692986E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-7.675694702242780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.167938777998666
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.654298970570900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.267436927496151
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.143077289070166
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.362377944795675E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.159340237183760E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.212024419838653
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.358652940016381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.162599649451473
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.654298970570900E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.267436927496151
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.143077289070166
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.362377944795675E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.159340237183760E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.212024419838653
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.358652940016381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.162599649451473
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.333321898670945
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.146441339757446
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.114067540190862
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.404148556827443E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-6.234980390486487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.267866848315054
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.528368839624776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-6.957953717074460E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.333321898670945
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.146441339757446
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.114067540190862
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.404148556827443E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-6.234980390486487E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.267866848315054
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.528368839624776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-6.957953717074460E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.358519376952028
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
8.663436266462257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.116653270262424
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.004293432902473E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.351073608173632E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.502119393964481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.657433147524610E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.168102285740072E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.358519376952028
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
8.663436266462257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.116653270262424
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.004293432902473E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.351073608173632E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-4.502119393964481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.657433147524610E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.168102285740072E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.033573393982301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.821023100744141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.122926089966789
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
6.181982703711401E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.512620579823705
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.871095473788458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.178333795462664
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.200947836877564
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.033573393982301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.821023100744141E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.122926089966789
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
6.181982703711401E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.512620579823705
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
8.871095473788458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.178333795462664
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.200947836877564
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.215691688783319
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.951556082706581E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.123669232967541
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.197727590486250
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.190490119978172
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.167167084491317
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.380684211861598
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.112305082971478
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.215691688783319
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.951556082706581E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.123669232967541
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.197727590486250
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.190490119978172
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.167167084491317
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.380684211861598
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.112305082971478
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.308019000085294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.141980405260281
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-5.981357091644514E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.179178543477857
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.110219805479239
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.106235771658239
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.292893008257346
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.103420473409813
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.308019000085294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.141980405260281
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-5.981357091644514E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.179178543477857
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.110219805479239
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.106235771658239
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.292893008257346
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.103420473409813
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.112234292520968
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.097771512072926E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.112234292520968
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.097771512072926E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.114172008924763
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.149123019255692
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.114172008924763
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.149123019255692
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.982179144116456E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.177571273984663
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.982179144116456E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.177571273984663
DAV: 66 -0.425675963767E+04 0.63582E+05 -0.46908E+04 100 0.438E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.59422 new 46.04432
0.123E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.989127265386922E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.322346614069399
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.165041436256675
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.472243486509901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.317089845756006
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.118484213403717
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.15127098906843
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.827859970689532
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.989127265386922E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.322346614069399
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.165041436256675
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.472243486509901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.317089845756006
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.118484213403717
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.15127098906843
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.827859970689532
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.146719242029827E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.431754503072320
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.121684076752393
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.233951737656379
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
9.454244591495710E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.994504674160236E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.292375783557700E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.736936360088836
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.146719242029827E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.431754503072320
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.121684076752393
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.233951737656379
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
9.454244591495710E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.994504674160236E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.292375783557700E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.736936360088836
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.206025552763930
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
5.606184708202603E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.161628010499990
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.181481647425454
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.961510098661819E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.726434596954154
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.152981319137461E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
6.747497497639741E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.206025552763930
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
5.606184708202603E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.161628010499990
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.181481647425454
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.961510098661819E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.726434596954154
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.152981319137461E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
6.747497497639741E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.979844991069938
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.425542091842933
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.180220042951869
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.254619339199634
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.136055969104133
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.34546793550323
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.580071616717134E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.553888903282044
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.979844991069938
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.425542091842933
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.180220042951869
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.254619339199634
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.136055969104133
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.34546793550323
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.580071616717134E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.553888903282044
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.76280434235482
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.672526383034947
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.793291728551858
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.858754430338868
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.899241552692967E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.750193278860238
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.495778053207069E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.233239614117812
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.76280434235482
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.672526383034947
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.793291728551858
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.858754430338868
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.899241552692967E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.750193278860238
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-3.495778053207069E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.233239614117812
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.220849757161733
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.211943448654358
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.393886571000445E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.320121464276376
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.832264274048113E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.173541079963631
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.324197004340919E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.314987583459975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.220849757161733
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.211943448654358
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
9.393886571000445E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.320121464276376
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.832264274048113E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.173541079963631
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.324197004340919E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.314987583459975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.056475205893215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.402861142439647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.212575850237706
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.425858868168139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-3.731300494676408E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.501270526899332E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-7.313263436584394E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.347606076238429E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.056475205893215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.402861142439647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.212575850237706
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.425858868168139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-3.731300494676408E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.501270526899332E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-7.313263436584394E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.347606076238429E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.149555703400781
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.111505574711171
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.227139260596730
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.136066274179827
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.743547610975199E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.354426399605766E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.013701269060340E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.861288786995023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.149555703400781
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.111505574711171
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.227139260596730
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.136066274179827
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.743547610975199E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.354426399605766E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.013701269060340E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.861288786995023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.101973867818075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.410656806411888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-8.855276594084335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
6.006040689270779E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.703788805202018E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.853666828951702E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.008105096194349E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.191896420009519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.101973867818075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.410656806411888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-8.855276594084335E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
6.006040689270779E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.703788805202018E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.853666828951702E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-3.008105096194349E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.191896420009519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.697866609992716E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.784810167284148E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.671996333246851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.092394123614868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.561670378807591E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-6.485713460861405E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-7.887618782157728E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.015913630095664E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.697866609992716E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.784810167284148E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.671996333246851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.092394123614868E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.561670378807591E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-6.485713460861405E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-7.887618782157728E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.015913630095664E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.608638532521397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.492437532645940E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.407216315560810E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
9.132915762877594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.776550910348210E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.999393921141112E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.786793832102667E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.194744107715978
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.608638532521397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.492437532645940E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.407216315560810E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
9.132915762877594E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.776550910348210E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.999393921141112E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.786793832102667E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.194744107715978
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.182761192580558
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.967628823447715E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.153425056641991
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.954457539133720E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.747056833460715E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.207808294440870
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.096461805056887E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.538777992957635E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.182761192580558
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.967628823447715E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.153425056641991
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.954457539133720E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.747056833460715E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.207808294440870
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.096461805056887E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.538777992957635E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.286737168083370E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.969557802793290E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.870357289366096E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.550879817559226E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.744828041997470E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.102687874513430
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.076551747355785E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.951307128634832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.286737168083370E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.969557802793290E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.870357289366096E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.550879817559226E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.744828041997470E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.102687874513430
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.076551747355785E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.951307128634832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.390669855563275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.741648658596613E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.260418722419982E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
7.045202316000018E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.594522768479376E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.225134250719614E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.943393088853334E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.125643122612264
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.390669855563275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.741648658596613E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.260418722419982E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
7.045202316000018E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.594522768479376E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.225134250719614E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.943393088853334E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.125643122612264
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-5.606203679717443E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.113308378092790E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.846310916451692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.700770393320903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.413817128809259E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.979650611051507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.393578246088176E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.169369581012743
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-5.606203679717443E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.113308378092790E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.846310916451692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.700770393320903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.413817128809259E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.979650611051507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
3.393578246088176E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.169369581012743
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
7.951129077648579E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.244591831219081
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.073547620292972E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.768276982896709E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.535728017170781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.118659756875246
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.533572978258400E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.122468258380740
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
7.951129077648579E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.244591831219081
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.073547620292972E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.768276982896709E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.535728017170781E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.118659756875246
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.533572978258400E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.122468258380740
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.631125459029555E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.367138415484809
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.724707183944807E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.125134048753889
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.696198446208485
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.069219398339939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.247909347340370E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.01299671671727
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.631125459029555E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.367138415484809
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
9.724707183944807E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.125134048753889
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.696198446208485
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.069219398339939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.247909347340370E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.01299671671727
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.129156440722418
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.337861103862996
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.284041894454365
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.029822661646217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.475341167163561
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.115256221045458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.180710317914371
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.136141281869375
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.129156440722418
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.337861103862996
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.284041894454365
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.029822661646217E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.475341167163561
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.115256221045458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.180710317914371
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.136141281869375
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.054272893755352E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
9.498543740392400E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.261405011901083
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.196536310529175
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.440462656569594
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.700403462857584E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.402305945509290
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.101809119110998
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.054272893755352E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
9.498543740392400E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.261405011901083
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.196536310529175
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.440462656569594
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
5.700403462857584E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.402305945509290
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.101809119110998
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.547420418812596E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.757423189429333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.456479207113123
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.716340393326078
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.596156091259430
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.323985704536526E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.764779573437996
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-5.424263926548308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.547420418812596E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.757423189429333E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.456479207113123
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.716340393326078
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.596156091259430
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.323985704536526E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.764779573437996
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-5.424263926548308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.095832526985216E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.213522771242105
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.095832526985216E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.213522771242105
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.394945373107733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.311118964384002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-8.394945373107733E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.311118964384002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.923039580309653
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.402981236429351
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.923039580309653
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.402981236429351
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.971329389799591
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.186286193448075
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.971329389799591
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.186286193448075
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.954627096620468
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.721805907460637E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.954627096620468
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.721805907460637E-002
DAV: 67 -0.225013532369E+05 -0.18245E+05 -0.65896E+04 136 0.296E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 46.04432 new 47.05920
0.286E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.358366852449536
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.607098977076624E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.268930433634905
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.228107053566587
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
3.731501295310833E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.297844812721846
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.131051369781810
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.103354267154601
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.358366852449536
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.607098977076624E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.268930433634905
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.228107053566587
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
3.731501295310833E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.297844812721846
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.131051369781810
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.103354267154601
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.259336387620581
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.754329586948362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.164197749260569
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.26256192695320
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.546767209793468E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.102262784345154
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.578764399666623
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.327436777799751
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.259336387620581
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.754329586948362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.164197749260569
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.26256192695320
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.546767209793468E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.102262784345154
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.578764399666623
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.327436777799751
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.506093283758687
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.615763374894555E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.617479307642443
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.757239020163557
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.173914822141873
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.971392523082421
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.797381300243149
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.730089879313854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.506093283758687
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.615763374894555E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.617479307642443
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.757239020163557
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.173914822141873
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.971392523082421
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.797381300243149
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.730089879313854E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.359975427417227E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.795662527771784
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.381434802740886
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.475207898979634
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.876870914462986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.144459016983698E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.121519365766162
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.235274776270205
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.359975427417227E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.795662527771784
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.381434802740886
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.475207898979634
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.876870914462986E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.144459016983698E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.121519365766162
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.235274776270205
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.163669648374593
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.513899764223055E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.448967273350202
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.832385650058366E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.204025306193050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.387841370107697
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.136648443490591
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.264491244137742
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.163669648374593
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
6.513899764223055E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.448967273350202
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
4.832385650058366E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.204025306193050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.387841370107697
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.136648443490591
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.264491244137742
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.133146620143147
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.158514847380977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.375752981064610
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.497956368840976
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.547299639629850
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.587666159663275
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.758135534979742
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.356966388160657E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.133146620143147
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.158514847380977E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.375752981064610
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.497956368840976
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.547299639629850
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.587666159663275
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.758135534979742
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.356966388160657E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.223708025137120
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.868461790658450E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.109676955921926
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.02188534551484
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.07610934525333
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.16721214266933
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.20016024220712
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.148684940739432
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.223708025137120
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
5.868461790658450E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.109676955921926
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.02188534551484
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.07610934525333
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.16721214266933
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.20016024220712
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.148684940739432
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.656443894110752
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
6.269747520300728E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.166681485520824
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.39389426100470
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.30430434232260
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.42149105003282
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.32329596992791
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.578450121949502E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.656443894110752
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
6.269747520300728E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.166681485520824
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.39389426100470
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.30430434232260
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.42149105003282
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.32329596992791
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.578450121949502E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.301670652945827
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.241457918825500
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.507131535590314
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.394150397890949
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.258518605670913
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.655458123496226E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.334615400690550
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.121932892230766
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.301670652945827
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.241457918825500
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.507131535590314
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.394150397890949
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.258518605670913
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-6.655458123496226E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.334615400690550
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.121932892230766
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.328860270677020
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
5.793838297111821E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.202892963876681
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.566623981878941E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.230054644959264
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.117078398037388
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.192814506935912
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.118517038447368
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.328860270677020
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
5.793838297111821E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.202892963876681
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
9.566623981878941E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.230054644959264
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.117078398037388
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.192814506935912
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.118517038447368
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.186153151993017
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.865969543207973E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.206977453196380
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.236743807506929
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
8.602635874838727E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.120075456126077
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.660546440891461E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
9.113208397704925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.186153151993017
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.865969543207973E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.206977453196380
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.236743807506929
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
8.602635874838727E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.120075456126077
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.660546440891461E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
9.113208397704925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.131035384702783
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.901810923205509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.146896101713452
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.199541826396656
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.904457880884770E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.521667319549490E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.127987357657653
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
7.556759018125309E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.131035384702783
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.901810923205509E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.146896101713452
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.199541826396656
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.904457880884770E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.521667319549490E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.127987357657653
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
7.556759018125309E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.939601302826519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-6.006103726981727E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-7.307452037865907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.140973273600374
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.745609137152878E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.123720538015414E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-5.170923573468170E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.247169773847683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.939601302826519E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-6.006103726981727E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-7.307452037865907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
0.140973273600374
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.745609137152878E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.123720538015414E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-5.170923573468170E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
3.247169773847683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.132482945100425E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.853238266423112E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.268755912927265
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.168227210596934
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.150933681128509
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.169776434668085E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.809484652750809E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.525031708926776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.132482945100425E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.853238266423112E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.268755912927265
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.168227210596934
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.150933681128509
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.169776434668085E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
7.809484652750809E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.525031708926776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.038038332048599E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.410135758330304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.379853643460476
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.954203888717481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.305118764506741
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.502878874191131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
8.150220157885305E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.218816790935071
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.038038332048599E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.410135758330304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.379853643460476
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.954203888717481E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.305118764506741
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.502878874191131E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
8.150220157885305E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.218816790935071
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.426974409679462E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.045956372259914E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.645628074768442E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.732048712172636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
8.921627161212270E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.910156656103543E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.251563121902041E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.495064132875906E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.426974409679462E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.045956372259914E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.645628074768442E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.732048712172636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
8.921627161212270E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.910156656103543E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.251563121902041E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.495064132875906E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.192964991129115
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.110851359738013
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.192964991129115
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.110851359738013
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.207856511052878
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.502629685997070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.207856511052878
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.502629685997070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.005908898628409E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.566342925995485E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.005908898628409E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.566342925995485E-002
DAV: 68 -0.216829196984E+05 0.81843E+03 -0.21860E+05 100 0.431E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 47.05920 new 45.88109
0.157E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.75249932940724
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
18.7027166596918
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
8.46745680057812
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.55561468688230
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
17.5187213610551
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.34930894931210
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.07189900578323
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
12.5251604397859
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.75249932940724
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
18.7027166596918
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
8.46745680057812
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.55561468688230
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
17.5187213610551
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.34930894931210
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.07189900578323
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
12.5251604397859
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
11.3997607768525
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
10.9939271471509
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-73.6645071731567
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-35.2021806964076
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-14.7763075076754
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-17.5039636422942
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
19.0439184466925
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
25.3651501130245
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
11.3997607768525
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
10.9939271471509
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-73.6645071731567
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-35.2021806964076
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-14.7763075076754
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-17.5039636422942
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
19.0439184466925
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
25.3651501130245
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.09549991999243
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.15505466431119
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.65728975706861
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
22.8497173794844
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-34.9821893397254
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.10427318167453
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.75615455541050
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
30.9189158017140
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.09549991999243
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.15505466431119
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.65728975706861
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
22.8497173794844
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-34.9821893397254
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.10427318167453
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.75615455541050
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
30.9189158017140
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.76886854323255
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.00826176926238
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-14.0460007289370
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-27.4238667639055
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
12.4457744848281
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
7.90788709321659
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.212225006397905
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-3.27021546985613
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.76886854323255
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-6.00826176926238
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-14.0460007289370
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-27.4238667639055
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
12.4457744848281
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
7.90788709321659
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.212225006397905
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-3.27021546985613
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.88826295881982
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-11.2055200304736
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-8.30918685437765
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.83108950632268
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-19.6305220600180
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
6.90796389336460
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.641754708584555
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
5.26131902445838
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.88826295881982
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-11.2055200304736
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-8.30918685437765
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.83108950632268
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-19.6305220600180
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
6.90796389336460
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.641754708584555
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
5.26131902445838
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-21.9908926828180
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
29.0507624204444
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.86418685866921
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.05796146672487
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.01210098998366
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.18040351228594
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-5.46776554969388
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.54933045061037
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-21.9908926828180
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
29.0507624204444
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.86418685866921
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.05796146672487
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.01210098998366
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.18040351228594
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-5.46776554969388
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.54933045061037
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.42863171508885
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-22.2974875818184
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
16.0117967459568
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-12.5049075925192
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
24.6275344533256
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
25.4757005596652
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
22.0581157169258
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
16.2680651212668
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.42863171508885
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-22.2974875818184
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
16.0117967459568
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-12.5049075925192
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
24.6275344533256
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
25.4757005596652
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
22.0581157169258
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
16.2680651212668
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.58592992999894
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
48.2233323062069
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
21.0694450609989
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
17.3885920694913
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
32.4606048950566
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-25.0797992592935
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.69048562661659
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.54602930781729
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.58592992999894
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
48.2233323062069
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
21.0694450609989
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
17.3885920694913
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
32.4606048950566
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-25.0797992592935
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.69048562661659
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.54602930781729
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
26.7067663487037
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
64.2426657187973
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
20.2086274059206
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
53.7690867754006
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
42.2855840739846
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
33.9095282512140
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
69.6461061527372
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.34210752367508
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
26.7067663487037
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
64.2426657187973
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
20.2086274059206
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
53.7690867754006
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
42.2855840739846
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
33.9095282512140
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
69.6461061527372
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.34210752367508
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.91232635084387
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-48.0104777556587
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
20.2579551044579
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
27.1593460678407
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
35.6099841738648
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.19755615089716
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
11.9055149863736
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
25.9454084008924
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.91232635084387
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-48.0104777556587
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
20.2579551044579
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
27.1593460678407
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
35.6099841738648
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.19755615089716
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
11.9055149863736
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
25.9454084008924
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.65841192441258
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.97859862714738
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.64772955733927
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.06215935977178
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.77217326474363
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.40293439675323
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.20098122155481
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.131178652086644
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.65841192441258
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.97859862714738
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.64772955733927
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.06215935977178
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.77217326474363
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.40293439675323
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.20098122155481
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.131178652086644
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
16.1353966368649
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.40654877978460
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
16.6664125490906
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
23.3787863285219
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-22.6483924948318
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.12665237114085
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.64961752125946
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
21.9168175147881
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
16.1353966368649
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.40654877978460
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
16.6664125490906
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
23.3787863285219
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-22.6483924948318
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.12665237114085
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
6.64961752125946
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
21.9168175147881
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
15.2614570254604
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.47910330168844
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-22.1613763296057
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
14.4104277679266
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-27.8107685640884
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
13.8222240018957
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
48.6327926217353
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
52.8379075417574
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
15.2614570254604
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.47910330168844
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-22.1613763296057
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
14.4104277679266
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-27.8107685640884
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
13.8222240018957
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
48.6327926217353
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
52.8379075417574
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
17.5289593129451
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.72769033246054
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
35.7226729761545
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
19.4869604153885
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-26.3798166754191
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
13.9888688210579
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
13.9045569697467
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
71.2569026009939
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
17.5289593129451
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.72769033246054
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
35.7226729761545
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
19.4869604153885
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-26.3798166754191
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
13.9888688210579
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
13.9045569697467
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
71.2569026009939
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
22.0591160986842
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
24.6367252986301
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-15.3318529002219
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
20.8012975524438
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-18.7861553098672
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
14.0155219135524
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
51.8380641856319
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
67.9629419131152
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
22.0591160986842
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
24.6367252986301
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-15.3318529002219
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
20.8012975524438
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-18.7861553098672
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
14.0155219135524
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
51.8380641856319
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
67.9629419131152
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.312494812180300
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.352567062628417
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.74196239063655
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.287344446880652
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.70394932734467
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.34916167637102
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.22115312509609
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.82653096447318
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.312494812180300
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.352567062628417
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.74196239063655
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.287344446880652
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.70394932734467
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.34916167637102
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.22115312509609
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-2.82653096447318
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
12.3634074452682
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-17.4172465135674
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.76094072520118
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.36247689074624
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-38.8279207500127
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.97273163300805
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-13.8058630674482
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-19.0158331258748
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
12.3634074452682
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-17.4172465135674
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.76094072520118
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.36247689074624
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-38.8279207500127
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.97273163300805
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-13.8058630674482
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-19.0158331258748
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.77764309070522
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.34838988804898
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.54765495985719
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.66621701928607
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-14.7893556288976
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-4.78047956295863
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-10.3697695177572
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.30297837172165
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.77764309070522
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.34838988804898
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
7.54765495985719
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.66621701928607
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-14.7893556288976
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-4.78047956295863
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-10.3697695177572
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.30297837172165
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.07669334579827
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
8.039973054830583E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-23.6521810656927
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.33487378011662
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.74753773946116
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.68275293351605
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-18.3461727792460
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.11552821019119
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.07669334579827
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
8.039973054830583E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-23.6521810656927
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.33487378011662
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.74753773946116
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.68275293351605
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-18.3461727792460
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.11552821019119
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.73094916691809
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.955475699080609
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.292584289310041
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-26.3889381066167
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
24.9224182625240
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-43.8444452123194
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-42.4127499987992
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-50.9822587776851
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.73094916691809
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.955475699080609
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.292584289310041
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-26.3889381066167
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
24.9224182625240
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-43.8444452123194
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-42.4127499987992
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-50.9822587776851
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.67952018944429
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-17.6018708443991
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.67952018944429
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-17.6018708443991
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-60.4754511451122
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
22.9667849011086
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-60.4754511451122
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
22.9667849011086
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-20.5383593956175
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.53372301904961
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-20.5383593956175
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.53372301904961
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.88140421734921
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-16.8781297024957
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.88140421734921
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-16.8781297024957
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.96536793583046
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.34002989281931
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.96536793583046
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.34002989281931
WARNING: DENMP: can't reach specified precision
Number of Electrons is NELECT = 45.0000000001693
DAV: 69 -0.281401367957E+09 -0.28138E+09 -0.28127E+09 136 0.345E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.88109 new 45.04005
0.723E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.394270698195330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-30.4393505419008
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.77887634490085
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.86572129585157
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
26.0268681117658
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
10.6773276471736
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-10.4227518827124
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.07486886769636
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
4.394270698195330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-30.4393505419008
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.77887634490085
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
4.86572129585157
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
26.0268681117658
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
10.6773276471736
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-10.4227518827124
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
6.07486886769636
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
26.5758053341858
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
85.6476385679204
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
59.4598925176671
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
91.6680921617954
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
107.424781669309
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
72.5199012619175
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
95.1782560568440
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
66.9141575133915
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
26.5758053341858
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
85.6476385679204
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
59.4598925176671
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
91.6680921617954
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
107.424781669309
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
72.5199012619175
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
95.1782560568440
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
66.9141575133915
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
106.076698790498
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
93.0863297862968
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
115.032718208545
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
98.8161781311973
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
91.1111864944621
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
88.0293056675599
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
95.3822943707702
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
95.9063042532329
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
106.076698790498
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
93.0863297862968
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
115.032718208545
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
98.8161781311973
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
91.1111864944621
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
88.0293056675599
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
95.3822943707702
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
95.9063042532329
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
103.422867830721
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
88.0975722567276
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
94.5316070001611
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
98.1665155130791
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
93.2859026150417
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
77.3420300843171
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
95.9638397597266
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
97.4089542866234
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
103.422867830721
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
88.0975722567276
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
94.5316070001611
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
98.1665155130791
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
93.2859026150417
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
77.3420300843171
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
95.9638397597266
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
97.4089542866234
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
103.677585036467
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
87.9490480543698
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
95.6076724872691
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
98.2563154784781
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
93.3722158452087
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
74.9435939132697
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
96.0196007804706
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
97.3742290260814
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
103.677585036467
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
87.9490480543698
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
95.6076724872691
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
98.2563154784781
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
93.3722158452087
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
74.9435939132697
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
96.0196007804706
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
97.3742290260814
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-92.8984841323206
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.381688444398511
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.06342538018613
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.47439859621366
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
11.4463235165727
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
75.3774838265872
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
18.3584995066157
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.13086412375379
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-92.8984841323206
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.381688444398511
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.06342538018613
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.47439859621366
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
11.4463235165727
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
75.3774838265872
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
18.3584995066157
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.13086412375379
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
30.6525906404913
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
81.4343117528737
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
82.0058254749020
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
42.4283383202347
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
112.981238367928
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
105.008803054948
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
70.9488517158343
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
43.1654413592979
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
30.6525906404913
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
81.4343117528737
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
82.0058254749020
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
42.4283383202347
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
112.981238367928
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
105.008803054948
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
70.9488517158343
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
43.1654413592979
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
46.7592637404921
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
86.9884408285556
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
84.9338676902178
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
92.7321658953268
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
69.1670254852910
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
61.5591437200793
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
63.3003676031943
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
42.1815802400597
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
46.7592637404921
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
86.9884408285556
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
84.9338676902178
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
92.7321658953268
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
69.1670254852910
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
61.5591437200793
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
63.3003676031943
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
42.1815802400597
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-17.6778581980891
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
88.4163222618974
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
85.3425078324587
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
89.6424090148905
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
59.8610752716332
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
51.7716089675122
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
45.8715305782119
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.20657762123559
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-17.6778581980891
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
88.4163222618974
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
85.3425078324587
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
89.6424090148905
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
59.8610752716332
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
51.7716089675122
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
45.8715305782119
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.20657762123559
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-32.9187662944266
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
88.5304740886642
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
85.3965239454779
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
89.5768881736242
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
58.5138410835181
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
46.2180505006414
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
42.9848061327585
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-5.44662305506877
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-32.9187662944266
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
88.5304740886642
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
85.3965239454779
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
89.5768881736242
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
58.5138410835181
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
46.2180505006414
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
42.9848061327585
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-5.44662305506877
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
22.3367736343453
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-13.1226004683533
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.32575688695329
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.26884306812993
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
29.5706578016209
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-35.3708684412515
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
80.7388762224712
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.92076535408493
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
22.3367736343453
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-13.1226004683533
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.32575688695329
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.26884306812993
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
29.5706578016209
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-35.3708684412515
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
80.7388762224712
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.92076535408493
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
82.3088001769674
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
77.5610285073642
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
55.2818639608136
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
91.0825253356909
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
100.539472617725
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
46.9314079668753
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
90.7200627554242
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
52.4868222038889
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
82.3088001769674
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
77.5610285073642
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
55.2818639608136
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
91.0825253356909
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
100.539472617725
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
46.9314079668753
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
90.7200627554242
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
52.4868222038889
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
72.4060914156263
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
71.7051412479502
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
91.4819490684240
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
89.1384074559661
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
79.0606660620879
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
70.9138361613255
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
58.2927044251602
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
88.2734185175498
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
72.4060914156263
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
71.7051412479502
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
91.4819490684240
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
89.1384074559661
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
79.0606660620879
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
70.9138361613255
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
58.2927044251602
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
88.2734185175498
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
52.4301474424104
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
65.1784576963065
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
89.0729751657328
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
88.7291958998440
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
77.4305346779389
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
61.7013335655102
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
56.6857810967989
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
86.6637928454537
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
52.4301474424104
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
65.1784576963065
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
89.0729751657328
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
88.7291958998440
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
77.4305346779389
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
61.7013335655102
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
56.6857810967989
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
86.6637928454537
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
41.9161686240736
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
64.7104505592400
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
89.0849130746450
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
88.6689836866712
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
77.1818785576170
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
59.7888001798161
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
56.0809907421725
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
86.4944751011245
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
41.9161686240736
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
64.7104505592400
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
89.0849130746450
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
88.6689836866712
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
77.1818785576170
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
59.7888001798161
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
56.0809907421725
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
86.4944751011245
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-19.7930657623414
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.40968744216724
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
10.7013925853237
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-9.33789698735839
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
11.1635221024326
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-56.5424110401545
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
29.0507716147370
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-59.4686837002674
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-19.7930657623414
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.40968744216724
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
10.7013925853237
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-9.33789698735839
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
11.1635221024326
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-56.5424110401545
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
29.0507716147370
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-59.4686837002674
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.39354829716316
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
124.077656330915
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
57.6287698399542
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
126.192745873575
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
92.1292785825120
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
42.4724849739117
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
97.5653230828905
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
28.7159732085500
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.39354829716316
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
124.077656330915
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
57.6287698399542
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
126.192745873575
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
92.1292785825120
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
42.4724849739117
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
97.5653230828905
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
28.7159732085500
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
35.6048899249657
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
95.7674510347468
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
100.180794764294
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
117.808970746032
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
84.6950783164252
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
62.5531872376925
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
70.8901001844795
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
105.648337025191
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
35.6048899249657
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
95.7674510347468
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
100.180794764294
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
117.808970746032
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
84.6950783164252
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
62.5531872376925
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
70.8901001844795
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
105.648337025191
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
26.9117245329276
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
89.0249754363710
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
100.110437374022
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
119.718817952410
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
78.8237227706594
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-37.0854609329965
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
51.7977156030913
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
104.137781876152
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
26.9117245329276
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
89.0249754363710
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
100.110437374022
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
119.718817952410
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
78.8237227706594
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-37.0854609329965
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
51.7977156030913
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
104.137781876152
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
18.0410440330597
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
88.5213427427669
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
100.196774342848
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
119.634167227100
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
77.9972625815114
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-40.8751229639138
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
46.6409179833189
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
104.492979044987
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
18.0410440330597
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
88.5213427427669
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
100.196774342848
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
119.634167227100
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
77.9972625815114
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-40.8751229639138
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
46.6409179833189
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
104.492979044987
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-94.7833100465788
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-28.1155539326397
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-94.7833100465788
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-28.1155539326397
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
14.6543590184937
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
34.1522518956247
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
14.6543590184937
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
34.1522518956247
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
13.5989501273888
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
35.9235730660086
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
13.5989501273888
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
35.9235730660086
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-26.6636248123105
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
35.7554726491080
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-26.6636248123105
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
35.7554726491080
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-41.1831149338470
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
35.5328985717232
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-41.1831149338470
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
35.5328985717232
WARNING: DENMP: can't reach specified precision
Number of Electrons is NELECT = 45.0000000433490
DAV: 70 -0.353076145250E+11 -0.35026E+11 -0.29657E+11 136 0.357E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.04005 new 45.00007
0.133E+03
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.246574316580840
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.584999063159979E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.166734164320482E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.000863059422009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
9.372489158530209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.108214978711535
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.174755335450075
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.671406305792095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.246574316580840
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-8.584999063159979E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.166734164320482E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.000863059422009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
9.372489158530209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.108214978711535
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.174755335450075
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.671406305792095E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.827229947481533E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.478362804645717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-4.046269939193370E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.450477753574925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.006698428888805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.290567129881756
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.918108991919994E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.834323342786500
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.827229947481533E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.478362804645717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-4.046269939193370E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.450477753574925E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
8.006698428888805E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.290567129881756
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.918108991919994E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.834323342786500
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.181253306968924
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.556874510497336
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.319338048158467
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.087954997387196E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.691281429399420E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
9.439200540788707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.776390756443454E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.166976684082647
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.181253306968924
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.556874510497336
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.319338048158467
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
4.087954997387196E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.691281429399420E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
9.439200540788707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.776390756443454E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.166976684082647
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.321982114692777E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.189546201099790
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.107079432754586
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.673669704271673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
5.575217767627280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.369026927289456
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
7.389861751457988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.276765851790198
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.321982114692777E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.189546201099790
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.107079432754586
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.673669704271673E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
5.575217767627280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.369026927289456
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
7.389861751457988E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.276765851790198
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.145177903382479
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.025063346983739E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.913127273400703E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.413263339888242
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.492777056802617
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.167503980883196
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.202243536567174
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.155580404506940
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.145177903382479
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.025063346983739E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-9.913127273400703E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.413263339888242
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.492777056802617
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.167503980883196
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.202243536567174
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.155580404506940
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.325042093334963
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.326558639098065
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.220795232725594
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.787711020013401
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.461512509199832
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.859243330614001
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.143436721074082
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.958144295445624
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.325042093334963
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.326558639098065
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.220795232725594
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.787711020013401
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.461512509199832
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.859243330614001
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.143436721074082
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.958144295445624
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.359859254315413
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.497299881491044E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.860409624718476E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.316750505721603
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.624987320648183
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.299131383858822
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.231621277931061
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.842153624801206E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.359859254315413
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.497299881491044E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.860409624718476E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.316750505721603
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.624987320648183
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.299131383858822
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.231621277931061
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.842153624801206E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.780318897459533
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.616522332989717
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.369376123902395
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.281252486026924
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
8.898989442296626E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.835910237021992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.120946051919481
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
7.344682436919205E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.780318897459533
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.616522332989717
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.369376123902395
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.281252486026924
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
8.898989442296626E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
4.835910237021992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.120946051919481
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
7.344682436919205E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.255884605944784
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.207301570886618
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.388562426468471
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.094412032684858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
7.464232120629172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.172149466841579
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.571243056615348
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.376939471414742
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.255884605944784
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.207301570886618
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.388562426468471
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.094412032684858E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
7.464232120629172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.172149466841579
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.571243056615348
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.376939471414742
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.211724243876699
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.186227998870417
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.500805152190219
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.338648341404184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.153472444810788
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.793406586878054E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
9.451094345888980E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.370415218338907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.211724243876699
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
0.186227998870417
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.500805152190219
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.338648341404184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.153472444810788
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.793406586878054E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
9.451094345888980E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.370415218338907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.288657771704875
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.757820815491156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.572644351054162E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.261340352269393
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.778421614635877E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.205454549373303
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.173387107254980
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.610862946092117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.288657771704875
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.757820815491156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.572644351054162E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.261340352269393
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.778421614635877E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.205454549373303
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.173387107254980
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.610862946092117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.211830199950505
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.840832739799697
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.262620016169796
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.141911928654723
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-3.913329955229664E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.584506549467189E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.110991471739918
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.579019443003191E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.211830199950505
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.840832739799697
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.262620016169796
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.141911928654723
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-3.913329955229664E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.584506549467189E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.110991471739918
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
4.579019443003191E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.425115607231990
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.878523675383917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.308292369193139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.165700412413469E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.785698824942341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.455578083357247
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.393215789130291
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.787824435824663E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.425115607231990
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.878523675383917E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.308292369193139E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.165700412413469E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.785698824942341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.455578083357247
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.393215789130291
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.787824435824663E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.497539356681933
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.883128682865546
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.497539356681933
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.883128682865546
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.139336097997963
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.539743721814168E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.139336097997963
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.539743721814168E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.762940508109133
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.274790042912369
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.762940508109133
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.274790042912369
DAV: 71 0.204480805311E+03 0.35308E+11 -0.24741E+04 76 0.983E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.00007 new 45.61840
0.112E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.746902595776410E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.458807829539101E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.745275797299276E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.023071183250651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.061699614944487E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.856760631374317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.299187956646960E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.695421766931993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.746902595776410E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.458807829539101E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.745275797299276E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.023071183250651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.061699614944487E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.856760631374317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.299187956646960E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.695421766931993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.070382405467033E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.984785940068516E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.136908363735692
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.216604133276535E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.188922111760050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.535754916659605E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.800444313636262E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.070382405467033E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.984785940068516E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.136908363735692
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.216604133276535E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-6.188922111760050E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.535754916659605E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.800444313636262E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.335698696770619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.391183238078640E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.892710185360386E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.499302884154850E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.375979723676836E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.787480858354142E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.357837830473325E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.503192575120345E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.335698696770619E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.391183238078640E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-4.892710185360386E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.499302884154850E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.375979723676836E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.787480858354142E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.357837830473325E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.503192575120345E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.036019912073187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.809529763199414E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.742880870876188E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.173785512677027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.596146582478530E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.739315936755307E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.304953298420584E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.326791036479091E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.036019912073187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.809529763199414E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.742880870876188E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.173785512677027E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.596146582478530E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.739315936755307E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.304953298420584E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.326791036479091E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.790193933158044E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.484050262603997E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.403396987041694E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.492426962664042E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.573355800343001E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.047220241182751E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-5.242464248461642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-8.107805729245108E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.790193933158044E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
1.484050262603997E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.403396987041694E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.492426962664042E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.573355800343001E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.047220241182751E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-5.242464248461642E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-8.107805729245108E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
4.841991333434422E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.052023706790820E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.078544960767040E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.117534027938369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.640092799771325E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.253546069924713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.173521554303070E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.480633745086909E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
4.841991333434422E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.052023706790820E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.078544960767040E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.117534027938369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.640092799771325E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.253546069924713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.173521554303070E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.480633745086909E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.186411553126652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.537086111470094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.891271554494873E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.540415445466254E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.341360794808093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.574744406716025E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.595848815055039E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.748795036225211E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.186411553126652E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.537086111470094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.891271554494873E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.540415445466254E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.341360794808093E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.574744406716025E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.595848815055039E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.748795036225211E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.121897864508983
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.442424203410273E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.538192818336083E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.125295135611223
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-4.391517454056092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.164624422240638
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.187242525723846E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.459738882123776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.121897864508983
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.442424203410273E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.538192818336083E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.125295135611223
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-4.391517454056092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.164624422240638
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.187242525723846E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.459738882123776E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.099169723349987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.606431107259445E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.484079921316041E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.535747131501790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-9.193131137698475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.126859931554696E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.709124433115546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.099169723349987E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.606431107259445E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.484079921316041E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.535747131501790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-9.193131137698475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.126859931554696E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.709124433115546E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.128720616030311E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-7.701088416208396E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.347911622110122E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.884582493236595E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.021368603858826E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.913012317565813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.626430900586739E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.797808753179353E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.128720616030311E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-7.701088416208396E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.347911622110122E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.884582493236595E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.021368603858826E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-4.913012317565813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.626430900586739E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.797808753179353E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.137198827551075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.165915533317255
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
7.355460562645687E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.240089253996088
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.105046010157157
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.590141096049692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
8.580824293863745E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.889133900963127E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.137198827551075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.165915533317255
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
7.355460562645687E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.240089253996088
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.105046010157157
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.590141096049692E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
8.580824293863745E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.889133900963127E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.428597184250646E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.685170384401433E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.257413883612009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.531482210936425E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.208794770723922E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.661790106482028E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.680890521421153E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.251836871426850E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.428597184250646E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.685170384401433E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.257413883612009E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.531482210936425E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.208794770723922E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.661790106482028E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.680890521421153E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.251836871426850E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.646507952729816E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.423556630796575E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.113598351044738E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.090160222210885E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.670959259474732E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.748525058718594E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.166124943251707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.353772934993780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.646507952729816E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.423556630796575E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.113598351044738E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.090160222210885E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.670959259474732E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.748525058718594E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
3.166124943251707E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.353772934993780E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.480838796073276E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.804753264665586E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.226822830179890E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.097276057877527E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
8.098268282637450E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.731168359434243E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.033959829705475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.665262757986269E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.480838796073276E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-4.804753264665586E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.226822830179890E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-3.097276057877527E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
8.098268282637450E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.731168359434243E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.033959829705475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.665262757986269E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.288708631353662
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.653089903226993
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.288708631353662
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.653089903226993
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.307269331539034E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.307269331539034E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.394184826049978E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.109655971197329
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.394184826049978E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.109655971197329
DAV: 72 -0.763145802583E+02 -0.28080E+03 -0.28197E+03 84 0.245E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.61840 new 45.00886
0.142E+01
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.693518622477159E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.010730887731939E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.269822474311209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
5.447453725458300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.529464591066057E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.838513677539156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.175210228179403E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.542279646141391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.693518622477159E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.010730887731939E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.269822474311209E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
5.447453725458300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.529464591066057E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.838513677539156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.175210228179403E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.542279646141391E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.732852930962194E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.683616689841983E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.262192204420947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.242122894493878E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.762125524109187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.089390263496950E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.051171206840453E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.041982727423271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-8.732852930962194E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.683616689841983E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.262192204420947E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.242122894493878E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.762125524109187E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.089390263496950E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.051171206840453E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.041982727423271E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.062726309730909E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.193879619232421E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.898807046167320E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.648251458659752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.268295922614063E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.245072374706338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.549159458913949E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-7.978183917009421E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
7.062726309730909E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.193879619232421E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.898807046167320E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.648251458659752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.268295922614063E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.245072374706338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.549159458913949E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-7.978183917009421E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.333403404611301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.478695143985860E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-2.438788925433746E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.261529872366205E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.848320432672065E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.913803598309653E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.398920406209466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.911323352688787E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.333403404611301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.478695143985860E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-2.438788925433746E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.261529872366205E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.848320432672065E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.913803598309653E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.398920406209466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.911323352688787E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.845901823898502E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.339847005223485E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.798870117700764E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.453004172494819E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.521737840031748E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.666692969066180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.990612448470235E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-2.553947230639069E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
4.845901823898502E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.339847005223485E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
8.798870117700764E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.453004172494819E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.521737840031748E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.666692969066180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.990612448470235E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-2.553947230639069E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
8.095150276942924E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.491094914479869E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.018893244994959E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.732090718967589E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.053334340716263E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.632700468981737E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.631578290354228E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
8.095150276942924E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.491094914479869E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.018893244994959E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.732090718967589E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
2.053334340716263E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.632700468981737E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.631578290354228E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.119073915424710E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.402223837231033E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.201437110292906E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.215720961800305E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.024771748669975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.085647724478819E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.899565334725867E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.738028093445837E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-7.119073915424710E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
4.402223837231033E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.201437110292906E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-8.215720961800305E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.024771748669975E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.085647724478819E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.899565334725867E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.738028093445837E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.353159252478649E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.127086362307155E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.463937574052073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.138379302497616E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.410567535824660E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.026460833274774E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.447671608029644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.062753883323148E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.353159252478649E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.127086362307155E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.463937574052073E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-2.138379302497616E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
5.410567535824660E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-9.026460833274774E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.447671608029644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.062753883323148E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.624297923109282E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.895909345997934E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.863098314295444E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.357165325969753E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.734524315168612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.566927240450553E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.584045801386962E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.020821529351405E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.624297923109282E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.895909345997934E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.863098314295444E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.357165325969753E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.734524315168612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
3.566927240450553E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-3.584045801386962E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.020821529351405E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.400111531155221E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.001306572424962E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.276771169973142E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.180799741401084E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.426674112250612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.468509620157330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.704687669095713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.875804377976246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-5.400111531155221E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.001306572424962E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.276771169973142E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.180799741401084E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.426674112250612E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.468509620157330E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.704687669095713E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.875804377976246E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.011642076091554E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.454907775875990E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.721402874296050E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.066294437995831E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-3.408620000672859E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.308928076377951E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.545180227852085E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.201936000848692E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.011642076091554E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.454907775875990E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.721402874296050E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.066294437995831E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-3.408620000672859E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.308928076377951E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.545180227852085E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.201936000848692E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.039014331421099E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.528308423079453E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.500934247786742E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.401085887441919E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.433411789727432E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.066463225106878E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.628669427557650E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
9.846326248581023E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.039014331421099E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.528308423079453E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.500934247786742E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.401085887441919E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-4.433411789727432E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-5.066463225106878E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.628669427557650E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
9.846326248581023E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.273871098975743E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.750360202391707E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.478827244744873E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.700899290540629E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.356333993729583E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.188711669465528E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.871334852938565E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.555999222396594E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.273871098975743E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.750360202391707E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.478827244744873E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.700899290540629E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.356333993729583E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.188711669465528E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.871334852938565E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
4.555999222396594E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.902132705573654E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.543400377205633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.902132705573654E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
9.543400377205633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.062631306808526E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.745227980871397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-6.062631306808526E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
2.745227980871397E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.667535614437092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
5.597982729933070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.667535614437092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
5.597982729933070E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.151893256476104E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.856614458911893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.151893256476104E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.856614458911893E-002
DAV: 73 -0.103353679785E+03 -0.27039E+02 -0.24287E+02 78 0.755E+01BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.00886 new 44.99954
0.612E+00
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
6.252215214934522E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.086624868351428E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.660763695217702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.060983477618464E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.787015017020146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.804241552528407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.343059355105693E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.761786341197930E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
6.252215214934522E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.086624868351428E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
1.660763695217702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.060983477618464E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.787015017020146E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.804241552528407E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.343059355105693E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.761786341197930E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.488242004780825E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.277752400001881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.314932459207103E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.653513814184202E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.755432398756685E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.626024675989816E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.309998956380858E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.647078518012421E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.488242004780825E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.277752400001881E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.314932459207103E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.653513814184202E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.755432398756685E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.626024675989816E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
3.309998956380858E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.647078518012421E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.442097594074763E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.687135663553908E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.877903929921803E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.814651701116022E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.978107175948494E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-4.988920401117929E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-5.650349481370681E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.442097594074763E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.687135663553908E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
3.877903929921803E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.814651701116022E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.978107175948494E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-4.988920401117929E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-5.650349481370681E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.516038483945753E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
4.033708195477116E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.690802241541491E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.516038483945753E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
4.033708195477116E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.690802241541491E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.934659995377589E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.766532632401426E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.934659995377589E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.766532632401426E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.194980625860381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
8.745119496014975E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.458286643699592E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.180267013677034E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.621561739006717E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.864749327402901E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.762225373837292E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.749396650402013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.194980625860381E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
8.745119496014975E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.458286643699592E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.180267013677034E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.621561739006717E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.864749327402901E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.762225373837292E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.749396650402013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.628963194612244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.710457552704238E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.521007683596962E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.754402466843768E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.159501709206844E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.798989547138228E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.011957665119215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.760420365233113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.628963194612244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.710457552704238E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-3.521007683596962E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.754402466843768E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.159501709206844E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.798989547138228E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.011957665119215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.760420365233113E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.291310982261229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.790037766532979E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
6.146695892518044E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.170866327781947E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.857897036187658E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.500958834707097E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.456195627979163E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.291310982261229E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
2.790037766532979E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
6.146695892518044E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.170866327781947E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.857897036187658E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
4.500958834707097E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.456195627979163E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.805015668834231E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.964124507177402E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.311280387446132E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.991230027062209E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.041020258350561E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.330074107876625E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.805015668834231E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
5.964124507177402E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.311280387446132E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
3.991230027062209E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
2.041020258350561E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.330074107876625E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.229481284632852E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.307620985147507E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.801420928162583E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.229481284632852E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
5.307620985147507E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.801420928162583E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.147005515824375E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.923591644897576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.388748950906786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.381287176556556E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.463532831956720E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.545171513036180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.821734686243804E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.218505943037632E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
3.147005515824375E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.923591644897576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.388748950906786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-1.381287176556556E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.463532831956720E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.545171513036180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.821734686243804E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.218505943037632E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.481472457762297E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.185644246847198E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-8.502292998306179E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.735120110649507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.900149401137583E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.820306044359919E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-6.027596891048001E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.062801812414411E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-4.481472457762297E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.185644246847198E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-8.502292998306179E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.735120110649507E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.900149401137583E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.820306044359919E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-6.027596891048001E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.062801812414411E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.178267663517855E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.529092303090373E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.371774656015396E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.049652964134637E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.282472036102263E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-7.335744206378894E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.171727425876752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.178267663517855E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.529092303090373E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.371774656015396E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.049652964134637E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
4.282472036102263E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-7.335744206378894E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.171727425876752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.817974910208637E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-5.521257312564603E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.279528839806251E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-8.628758122752560E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.047370276918149E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-4.817974910208637E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-5.521257312564603E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.279528839806251E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-8.628758122752560E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.047370276918149E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.298139898054932E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
7.593291455428498E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.264288062149575E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.345979907761470E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-4.388011020895664E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
8.403999184711182E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.298139898054932E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
7.593291455428498E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.264288062149575E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.345979907761470E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-4.388011020895664E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
8.403999184711182E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.470185771897506E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.074101753124326E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.270429217871237E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.773463669673227E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.171361111412796E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.556473769133848E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.187355208661811E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.204834328472130E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.470185771897506E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.074101753124326E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.270429217871237E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-7.773463669673227E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.171361111412796E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.556473769133848E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.187355208661811E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.204834328472130E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.252117379440425E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.707853485295207E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.714132128845576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.292890787733408E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-4.071687349870208E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.772442518222518E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.764022738649138E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.627108885973529E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
6.252117379440425E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.707853485295207E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
2.714132128845576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.292890787733408E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-4.071687349870208E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.772442518222518E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
9.764022738649138E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.627108885973529E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.438777741302420E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.802558170912652E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.222563491075797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
7.427441845216335E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.841983881054563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.389362408216604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.963901431864792E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.196759474479910E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
1.438777741302420E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.802558170912652E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.222563491075797E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
7.427441845216335E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.841983881054563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.389362408216604E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-5.963901431864792E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.196759474479910E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-8.139455469629152E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.223725026799104E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.030354832071925E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.547129731197453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.550670651178588E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.090546007077298E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.234275000022447E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.553980756192535E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-8.139455469629152E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.223725026799104E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.030354832071925E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.547129731197453E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
4.550670651178588E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.090546007077298E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.234275000022447E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.553980756192535E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.967077604688005E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.502342601013357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.223385913165149E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.646827505032179E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.509318216992844E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.265927771635948E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.624231845529955E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.345867282117497E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.967077604688005E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.502342601013357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.223385913165149E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.646827505032179E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
3.509318216992844E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
9.265927771635948E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.624231845529955E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.345867282117497E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.880484874587270E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.713368381749655E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-6.880484874587270E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-3.713368381749655E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.025722800022786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.246839626094040E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.025722800022786E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
7.246839626094040E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.632851507474815E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.775335433502840E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.632851507474815E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.775335433502840E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-5.300806809958261E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.629444078351561E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-5.300806809958261E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.629444078351561E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.144217747607545E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.920150341319774E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.144217747607545E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-3.920150341319774E-003
DAV: 74 -0.326612276424E+04 -0.31628E+04 -0.31432E+04 136 0.176E+01BRMIX: very serious problems
the old and the new charge density differ
old charge density: 44.99954 new 45.11340
0.192E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.797886369853370E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.832136449903158
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.268261640109479
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.471167872080908
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.223370862591699
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.419920262291394
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.270649637314159
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.053020761655609E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.797886369853370E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.832136449903158
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.268261640109479
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.471167872080908
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.223370862591699
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.419920262291394
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.270649637314159
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.053020761655609E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.580424312032505
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.201544768479654
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-7.007612158519866E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.289712431988000
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.117818818971933
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
8.058223539602312E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.609712318652690E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-9.421535031020159E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.580424312032505
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.201544768479654
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-7.007612158519866E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.289712431988000
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.117818818971933
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
8.058223539602312E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.609712318652690E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-9.421535031020159E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.892357394804024E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.105542116535009
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.104019335220994E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.864765906013345E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.002152142258675E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.679965829334501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.190456201090205
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.523963618513802E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.892357394804024E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.105542116535009
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.104019335220994E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.864765906013345E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-5.002152142258675E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.679965829334501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.190456201090205
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-6.523963618513802E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.945051000767032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.016489613692317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.363582120234520E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.054574055086803E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.846658521056545E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.385432033041653E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.360113816104910
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.246864867397886
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.945051000767032E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
3.016489613692317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
2.363582120234520E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-3.054574055086803E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.846658521056545E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.385432033041653E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.360113816104910
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.246864867397886
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.855623532904563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.051423054649412E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.547413767837197E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.537254572212158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
7.943800639285427E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.746374149117317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-6.723335241698852E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.820167688179117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.855623532904563E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.051423054649412E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.547413767837197E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
8.537254572212158E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
7.943800639285427E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-3.746374149117317E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-6.723335241698852E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.820167688179117E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.287631850941203E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.535799338375386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.013638527310278E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.499743407060025E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.584244043789368E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.422220869529886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.237689833716371E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.409466255794051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-4.287631850941203E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.535799338375386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.013638527310278E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.499743407060025E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.584244043789368E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.422220869529886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.237689833716371E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.409466255794051E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-8.952518349765671E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.695400936652969E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.944345369504358E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.306704799583932E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.095085348553307E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.838867828141870E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.505577462986705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-8.952518349765671E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.695400936652969E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-5.944345369504358E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.306704799583932E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.095085348553307E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.838867828141870E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.505577462986705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.908781581401321E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.039891274153136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.457094713271036E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.055611823559166E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.855572730570006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.217327923431115E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.404980199494683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.806692104705062E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.908781581401321E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.039891274153136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.457094713271036E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-6.055611823559166E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
2.855572730570006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.217327923431115E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
1.404980199494683E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.806692104705062E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.019997359677788E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.476656357644965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.011986834655867E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.335142909825067E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.199283884289458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.771797893701972E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.213774180014341E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.194395142022377
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.019997359677788E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.476656357644965E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.011986834655867E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.335142909825067E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.199283884289458E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.771797893701972E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
5.213774180014341E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.194395142022377
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.743659734348144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.516369422376734E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.138093106100594
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.093313780313418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.392598404628400E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.172902540990863
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.194561301345492E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.933698883752190E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
2.743659734348144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.516369422376734E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.138093106100594
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.093313780313418E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.392598404628400E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.172902540990863
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.194561301345492E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
2.933698883752190E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.739770971634644E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.268503378282463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.506973513978697E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.415966471607639E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.604134188947272E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.104672863675238
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.073007373574728E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.759534998912057E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.739770971634644E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.268503378282463E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
4.506973513978697E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.415966471607639E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
4.604134188947272E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.104672863675238
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
2.073007373574728E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
8.759534998912057E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.045055137894944E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.526262695065164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.483074034820470E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.911428488264974E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
8.447905431399904E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.031370576046475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.411912516028559E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.146493151562380E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-6.045055137894944E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.526262695065164E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-4.483074034820470E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.911428488264974E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
8.447905431399904E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.031370576046475E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.411912516028559E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.146493151562380E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.943727964948232E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-6.610291276996060E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.006754536817543E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.721045611326933E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.952926943534712E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.226287248466314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.388618046741809E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.375299279720086E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.943727964948232E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-6.610291276996060E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-3.006754536817543E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.721045611326933E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
6.952926943534712E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.226287248466314E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.388618046741809E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.375299279720086E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.975429539995749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.997141684476341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.123977274791748
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.582229258918470E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.384716682848269E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.564715103247820E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.523741276147628E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.002948279836848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-4.975429539995749E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.997141684476341E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.123977274791748
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-5.582229258918470E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.384716682848269E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.564715103247820E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.523741276147628E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.002948279836848E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.133793387515887
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.239586748606712E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-9.119100283039755E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.679570204575255E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.076215840550040E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.504779983029550E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.109396242076485E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.412392964887722E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.133793387515887
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.239586748606712E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-9.119100283039755E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
2.679570204575255E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.076215840550040E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
9.504779983029550E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.109396242076485E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.412392964887722E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.133400908732344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.388077750121199E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.605394235288707E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.166486263620531E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-9.463231446744674E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
8.421842017745888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.384069838746883E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.141731037218643
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
3.133400908732344E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.388077750121199E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
6.605394235288707E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.166486263620531E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-9.463231446744674E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
8.421842017745888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.384069838746883E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.141731037218643
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.508873770245175E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.203815264747562E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-6.204796878098244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.714859378642610E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.222746232537636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.213161971551573E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.856298465542224E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-5.431386593223259E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
1.508873770245175E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.203815264747562E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-6.204796878098244E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.714859378642610E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.222746232537636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.213161971551573E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.856298465542224E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-5.431386593223259E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
9.996143291251080E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.675139569546301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.405556371682816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.403559269113456E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.271663304818845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.129592137755159E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.316165234538563E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.738126164089603E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
9.996143291251080E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.675139569546301E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.405556371682816E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.403559269113456E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.271663304818845E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
7.129592137755159E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.316165234538563E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.738126164089603E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.406803120759431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.151783779270564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
5.406803120759431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
5.151783779270564E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
5.104613818431489E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.158651010945376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
5.104613818431489E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-4.158651010945376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.127615017309690
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.422143208680566E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.127615017309690
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
1.422143208680566E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.881931282994622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.938717665391611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.881931282994622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.938717665391611E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.968257496158466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
2.459541598908165E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.968257496158466E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
2.459541598908165E-002
DAV: 75 -0.100040716373E+05 -0.67379E+04 -0.10062E+05 120 0.235E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.11340 new 44.96846
0.406E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.831804404997429
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.923947111888050
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.374369810964635
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.531330644939547
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.584809973026359
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.393732444698329E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-6.073425650528860E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.628894007591699E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.831804404997429
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.923947111888050
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.374369810964635
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.531330644939547
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.584809973026359
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.393732444698329E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-6.073425650528860E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-4.628894007591699E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.673158478888523
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.425662626078568
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.229111153237515
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.389630085607741
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.258395671628244
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.244802756568251
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.118578025859478
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.578854636382919E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.673158478888523
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.425662626078568
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.229111153237515
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.389630085607741
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.258395671628244
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.244802756568251
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.118578025859478
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.578854636382919E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.832925966270576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.00378097522859
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.100344214570033
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.401780302481259
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-9.878296703609681E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.190100657455814
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
9.609599669649672E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.174194730026239
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.832925966270576E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.00378097522859
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.100344214570033
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.401780302481259
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-9.878296703609681E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.190100657455814
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
9.609599669649672E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.174194730026239
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.119002401584172
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.502234955444603
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.272959482803423
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.139115080298961
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.378898724101783
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.753963827598299E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.613205448422386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.228387624434579
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.119002401584172
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.502234955444603
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
0.272959482803423
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.139115080298961
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.378898724101783
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.753963827598299E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.613205448422386E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.228387624434579
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.126365210607486
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.637971539518879
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.354399638800003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.359537046038189
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.151090084097588
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.269026280933732E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
7.921756151950088E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.149827299886445
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.126365210607486
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.637971539518879
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
0.354399638800003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.359537046038189
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.151090084097588
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.269026280933732E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
7.921756151950088E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.149827299886445
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.297906714056874
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.002851987511910E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.492140580964020
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.517430808803345E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.012798807822501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.351543736683801
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.323269047770039
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.118799465754070
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.297906714056874
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.002851987511910E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.492140580964020
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
3.517430808803345E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
4.012798807822501E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.351543736683801
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.323269047770039
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.118799465754070
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.204953495817888
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.252682527269056
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.187020450043593
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.234729844386304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.007189032356312E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.884256168938405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.333700634119367E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.112687095168829
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.204953495817888
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.252682527269056
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.187020450043593
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.234729844386304E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.007189032356312E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.884256168938405E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.333700634119367E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.112687095168829
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.001644747860955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.854695805810433E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.101426673169841
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.828744166428622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.166834621032074
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.272883207633383E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.235751937249967
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.528107781228811E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.001644747860955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.854695805810433E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.101426673169841
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.828744166428622E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.166834621032074
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
6.272883207633383E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.235751937249967
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-8.528107781228811E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.281750400361752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.498239888734478E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
9.370844631771504E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
8.329093173010192E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.184336903604530
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.924595777379426E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.627037597131792E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-3.242878057273339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
2.281750400361752E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
1.498239888734478E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
9.370844631771504E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
8.329093173010192E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.184336903604530
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.924595777379426E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-7.627037597131792E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-3.242878057273339E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
5.320281727886756E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
5.320281727886756E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.116763985574436E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
7.717671187547766E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.620705382188761E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.129885674343614
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.183868513668089E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.232400842360094E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.499685778235104E-002
2.116763985574436E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
7.717671187547766E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
2.620705382188761E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.129885674343614
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.183868513668089E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
4.232400842360094E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.499685778235104E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
7.712806227550482E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.547491356901736
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
6.802895328435510E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.166215894421652
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.154175523296744
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.330826945898435
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.114246331566135
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.488122302433094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
7.712806227550482E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.547491356901736
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
6.802895328435510E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.166215894421652
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.154175523296744
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.330826945898435
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.114246331566135
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.488122302433094E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.226161898345651
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.380136937312445
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.165025999383843E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.219327462703988
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.254377618310435
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.287854804387085
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.383154639638841
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.113700065651997
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.226161898345651
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.380136937312445
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.165025999383843E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.219327462703988
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.254377618310435
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.287854804387085
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.383154639638841
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.113700065651997
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.151897323216127E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-9.512321297046329E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.100807291463335
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.242499874807741
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.511196923522038E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.540610280381636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.696909006956313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-9.537966733323296E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.151897323216127E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-9.512321297046329E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.100807291463335
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.242499874807741
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.511196923522038E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.540610280381636E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
8.696909006956313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-9.537966733323296E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
4.424242416132967E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.102921109192161
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-6.702467844084931E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.120313477847269
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.491251140246813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.488950156223403E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.159616640153417
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-3.759284795436484E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
4.424242416132967E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.102921109192161
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-6.702467844084931E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.120313477847269
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-5.491251140246813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
6.488950156223403E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.159616640153417
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-3.759284795436484E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
4.053227666776369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.396585891347037E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.404485127637189E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
6.972020386835615E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.614465706307794E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.620683110834644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.128916864619122
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.634116248597723E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
4.053227666776369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.396585891347037E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-4.404485127637189E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
6.972020386835615E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-2.614465706307794E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
5.620683110834644E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.128916864619122
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-7.634116248597723E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.142657922643096
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.122079422510915
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.254730673174262
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.223154381089133E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.605680022545063E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.012749761487492E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.121018704155984
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.423212014809046E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.142657922643096
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.122079422510915
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.254730673174262
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.223154381089133E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
6.605680022545063E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
6.012749761487492E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.121018704155984
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
5.423212014809046E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.264713910245030
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.733700380253456E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.123529407223421
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.196306085080275E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.372436204643727
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.247117019991273
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.787073754393691E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.024242172041963E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.264713910245030
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
4.733700380253456E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.123529407223421
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
7.196306085080275E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.372436204643727
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.247117019991273
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.787073754393691E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-3.024242172041963E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.826366943175668E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.988467827930354E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.569106014780818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.525799126915382E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.318370843161062
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.344538592958363
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.179082871039224
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.503539246756482E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.826366943175668E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.988467827930354E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.569106014780818E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-9.525799126915382E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.318370843161062
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.344538592958363
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.179082871039224
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.503539246756482E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.129199482205120
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.604148433677092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.105980608273257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.112199239803751
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.064154604351524E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.346407671123478
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.111240408106505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.969876821048513E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.129199482205120
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.604148433677092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.105980608273257E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.112199239803751
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-1.064154604351524E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.346407671123478
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
6.111240408106505E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
5.969876821048513E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.145739472758259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.994566772756643E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-7.553948624158843E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
8.715618562519040E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.178419775072089
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
9.123344712688748E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.337306101511258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-6.145739472758259E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
4.994566772756643E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-7.553948624158843E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
8.715618562519040E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.178419775072089
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
9.123344712688748E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.337306101511258E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.219084920973425
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.250653394228899
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.219084920973425
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.250653394228899
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.586764497933976
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.123213502152466
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.586764497933976
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.123213502152466
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.283587194780697
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.058111290561023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.283587194780697
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
7.058111290561023E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.752865322441969E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.421145603611721E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.752865322441969E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
3.421145603611721E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.217240840553573
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.154661900333144E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.217240840553573
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.154661900333144E-002
DAV: 76 -0.740218697310E+04 0.26019E+04 -0.73904E+04 136 0.313E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 44.96846 new 45.99471
0.235E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.357385511831665
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.946382840012176
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.258024488293363E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.104949324274859
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.288019643128300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.218259551408905
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.23986403621891
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.463521708052099
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.357385511831665
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.946382840012176
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-4.258024488293363E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.104949324274859
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
7.288019643128300E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.218259551408905
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
1.23986403621891
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.463521708052099
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.262518397946598
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.92186833454576
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.624206010110369
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.931311081689139
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.288918943189807
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.709248263924813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.317295830315858
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.405485598926579
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.262518397946598
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-1.92186833454576
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.624206010110369
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.931311081689139
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.288918943189807
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.709248263924813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.317295830315858
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.405485598926579
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.702223122011495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.83480574753274
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.863808413700791
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.13168317905011
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.196308244129055
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.329978265991541E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.47879417409864
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.143045890285735
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
5.702223122011495E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.83480574753274
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.863808413700791
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.13168317905011
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.196308244129055
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.329978265991541E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.47879417409864
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.143045890285735
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.329163861669580E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.02025886486137
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.875405003319221
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.99127253440472
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-8.350203327338497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-5.461153336831705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.56954886381659
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.093914993045795E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-5.329163861669580E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-2.02025886486137
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.875405003319221
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.99127253440472
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-8.350203327338497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-5.461153336831705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.56954886381659
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
6.093914993045795E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.839789991373116E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.11190527088435
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.568546211775303
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.66590014401827
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.247212110395227
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-8.434375525829398E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.37591590492956
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.151306273178015
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
8.839789991373116E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-1.11190527088435
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.568546211775303
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.66590014401827
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.247212110395227
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-8.434375525829398E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.37591590492956
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.151306273178015
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.252577669448382
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.715644311756486
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.230019791631287
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.572317696988484
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-8.530719459752423E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.035831241967154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.293813463498994E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.203198526500774
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.252577669448382
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.715644311756486
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.230019791631287
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.572317696988484
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-8.530719459752423E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.035831241967154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.293813463498994E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.203198526500774
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.620492804304130E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.195257760819216
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.23678150739347
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.186114375616237
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.388882500667371
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.236699543599038
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.254213265043426
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.897217650590063E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.620492804304130E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.195257760819216
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.23678150739347
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.186114375616237
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.388882500667371
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.236699543599038
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.254213265043426
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.897217650590063E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.066983229907876E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.15527511658528
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.110288326524879
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.469119874924638
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.17946505292359
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.831178937766416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.224933361518287
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.706559026531978E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.066983229907876E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.15527511658528
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.110288326524879
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.469119874924638
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.17946505292359
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.831178937766416E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.224933361518287
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-3.706559026531978E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.330540707148320E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.963772558337215
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.203584464559911
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.327819757525627
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.893487971634033
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.118517048847031
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.149454455268378
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.631755698749903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.330540707148320E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.963772558337215
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.203584464559911
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.327819757525627
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.893487971634033
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.118517048847031
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.149454455268378
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.631755698749903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.472796389851280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.952662886208742
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.122001487719457
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.171197745254252
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.576019984407849
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.104994155680942
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.445552923747888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.278732573061106E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
1.472796389851280E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.952662886208742
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.122001487719457
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.171197745254252
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.576019984407849
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.104994155680942
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-6.445552923747888E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-1.278732573061106E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.322807239217786
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.658626740884120E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.278923959340237
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.275449475264645
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.360231252646850
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.527079932157623
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.273067964418918E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.295813875227737
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.322807239217786
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.658626740884120E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
0.278923959340237
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.275449475264645
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-0.360231252646850
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.527079932157623
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
3.273067964418918E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.295813875227737
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.254108023679558
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.148261554605819
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.103694770418308
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.368723904372698
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.239186206256173E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.415616243574028
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.126448677192825
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.183994662152299
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.254108023679558
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.148261554605819
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.103694770418308
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.368723904372698
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.239186206256173E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.415616243574028
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.126448677192825
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.183994662152299
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.420232894080516
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.434021106036847E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.115808548696623
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.195215445496645
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.516610754711014E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.125349807952977
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.155055529012733
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.173011767012608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.420232894080516
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.434021106036847E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
0.115808548696623
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.195215445496645
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.516610754711014E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.125349807952977
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.155055529012733
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
4.173011767012608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.564082801913911
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.206267442714368
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.180000553818955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.103348184177834
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.259605081675530
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.244337999135429
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.147184041942093
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.502434912451242
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.564082801913911
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.206267442714368
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.180000553818955E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.103348184177834
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.259605081675530
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.244337999135429
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.147184041942093
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.502434912451242
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.522327414310798
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.283948803144929
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.090512673224370E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.003961767845200E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.228143421455801
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.237756958055512
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.100850205444088
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.571176453537245
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.522327414310798
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
0.283948803144929
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.090512673224370E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.003961767845200E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.228143421455801
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.237756958055512
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.100850205444088
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.571176453537245
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.129386357031835
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.221701518162370
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.475459031043993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.649124973793777E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.382009766002118
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.129427576537364
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.446360430957265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.361189561059678
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.129386357031835
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.221701518162370
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-1.475459031043993E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-6.649124973793777E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.382009766002118
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-0.129427576537364
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.446360430957265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.361189561059678
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.172752575729812
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.300611486115683
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.190468896567525
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.204830807239281
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.246520940257724
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.370403575639478
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.400487006325341
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.700077465033903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.172752575729812
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.300611486115683
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.190468896567525
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.204830807239281
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.246520940257724
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.370403575639478
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.400487006325341
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.700077465033903E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.299271631241209
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.446505034032506
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.167070502271340
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
9.860723093304390E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.684088545549755
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.130519413159214
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.182925733270673
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.704266057894174
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.299271631241209
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.446505034032506
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-0.167070502271340
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
9.860723093304390E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.684088545549755
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.130519413159214
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.182925733270673
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.704266057894174
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.238754240465083
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.177948690037552
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.560684886570973E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.053573738160813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.476433670107069
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.613343079565683
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.115754892110839
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.234646665219062E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.238754240465083
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.177948690037552
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-7.560684886570973E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.053573738160813E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.476433670107069
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
0.613343079565683
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
0.115754892110839
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.234646665219062E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.185178774653380
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.854679343285338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.383681274653600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.803691884492609E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.329782561888600
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.847233900587807
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.109638309463602
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.422497792612761
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
0.185178774653380
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-2.854679343285338E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.383681274653600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.803691884492609E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
0.329782561888600
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
0.847233900587807
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
0.109638309463602
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.422497792612761
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.788168893793320E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.988448370069219E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.788168893793320E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-5.988448370069219E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.234577797979499
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.884375679558378
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.234577797979499
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.884375679558378
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.153380936015923
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.05839741289614
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.153380936015923
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.05839741289614
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.474440210780818
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.946314213647953
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.474440210780818
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.946314213647953
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.567164178886033
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.639508629130556
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.567164178886033
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.639508629130556
DAV: 77 -0.201926118251E+05 -0.12790E+05 -0.17390E+05 136 0.359E+02BRMIX: very serious problems
the old and the new charge density differ
old charge density: 45.99471 new 45.50484
0.455E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.723297872455092
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.275781886748170
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.402704026425500
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.941021192531651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.885004960031062
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.533876252077252
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.670056978333133E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.476335964630433
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.723297872455092
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-0.275781886748170
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.402704026425500
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.941021192531651E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.885004960031062
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.533876252077252
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.670056978333133E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.476335964630433
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.16599911176565
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.624546114362309
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.25294430007144
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.198866109867453
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.90638456004690
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.14827776410105
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.889370118022659
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.18542777273063
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.16599911176565
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.624546114362309
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-2.25294430007144
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.198866109867453
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.90638456004690
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.14827776410105
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.889370118022659
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.18542777273063
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.113512347591310
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.11423590845100
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.46134776126907
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.135629371518707
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.517455182455954
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.499734333991764
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.880614544361403
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.329810103749507
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.113512347591310
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
2.11423590845100
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.46134776126907
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
0.135629371518707
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.517455182455954
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
0.499734333991764
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.880614544361403
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.329810103749507
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.59500624601034
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.89939791002312
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.07855870779007
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.221541703647576
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.614158249587879
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.481737942575086
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.05085907898518
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.544807255573297
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.59500624601034
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
2.89939791002312
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.07855870779007
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
0.221541703647576
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.614158249587879
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.481737942575086
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-2.05085907898518
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
0.544807255573297
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.689979064595028
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.04848701035280
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.737234873376783
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.643575471966169E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-7.772392363400378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.689502057397378
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.72115696722570
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.400415531922459
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.689979064595028
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
2.04848701035280
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.737234873376783
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-4.643575471966169E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-7.772392363400378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.689502057397378
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.72115696722570
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
0.400415531922459
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.399556770009823
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.05765881828481
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.393841252546726
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.348020397405254
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.054540918055490E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.45975047891521
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.938767767557016
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.175013444544562E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.399556770009823
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.05765881828481
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.393841252546726
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.348020397405254
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.054540918055490E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.45975047891521
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-0.938767767557016
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
4.175013444544562E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.72505239831602
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.754187047873145
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.322120274247577
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.117411708749109
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.926443692767990
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.42528383525959
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.685944484409453
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.544876064063924
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.72505239831602
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.754187047873145
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.322120274247577
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.117411708749109
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.926443692767990
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.42528383525959
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
0.685944484409453
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.544876064063924
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.06445514402305
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.30219522020094
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.414665031644088E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.83661528803968
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.518613498172467
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.85930479871246
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.13828719160689
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.592393268886522E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.06445514402305
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
1.30219522020094
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.414665031644088E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
1.83661528803968
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.518613498172467
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
1.85930479871246
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
1.13828719160689
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-2.592393268886522E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.850534405002315
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.160799346629569
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.18212543579440
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
3.53801897705032
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.103656773116075
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.45603496710529
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.43762502772638
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.10057673674546
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-0.850534405002315
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
0.160799346629569
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.18212543579440
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
3.53801897705032
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.103656773116075
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.45603496710529
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
1.43762502772638
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.10057673674546
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.103199776534068
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.345239430979413
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.544298179594291E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.106168221669014
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.267456727394541
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.632095733595446E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.458434957941297E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-0.103199776534068
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.345239430979413
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
3.544298179594291E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-0.106168221669014
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.267456727394541
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.632095733595446E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.458434957941297E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.825961466151183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.71998927663824
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.41651197633419
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.34089599767535
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.844883660544745E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.221885842396189
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.97010805822037
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.828947013615568
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-3.825961466151183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
9.71998927663824
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
5.41651197633419
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.34089599767535
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.844883660544745E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.221885842396189
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-1.97010805822037
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.828947013615568
-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| Error EDDDAV: Call to ZHEGV failed. Returncode = 10 2 16 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------
*****************************
Error running VASP parallel with MPI
#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/172.16.0.10-32000-task38434"
export PATH="/home/user/MD/Linux-x86_64/IntelMPI5/bin:$PATH"
export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/home/user/MD/Linux-x86_64/IntelMPI5/lib:/home/user/MD/TaskServer/Tools/vasp-gpu6.2.1/Linux-x86_64"
"/home/user/MD/Linux-x86_64/IntelMPI5/bin/mpirun" -r ssh -np 2 "/home/user/MD/TaskServer/Tools/vasp-gpu6.2.1/Linux-x86_64/vasp_gpu"
1
1
*****************************