Using device 0 (rank 0, local rank 0, local size 2) : Tesla V100-PCIE-16GB
Using device 1 (rank 1, local rank 1, 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 N H C SiO
POSCAR found : 5 types and 36 ions
NWRITE = 1
-----------------------------------------------------------------------------
| |
| 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 !!! |
| |
| You use a magnetic or noncollinear calculation, but did not specify |
| the initial magnetic moment with the MAGMOM tag. Note that a |
| default of 1 will be used for all atoms. This ferromagnetic setup |
| may break the symmetry of the crystal, in particular it may rule |
| out finding an antiferromagnetic solution. Thence, we recommend |
| setting the initial magnetic moment manually or verifying carefully |
| that this magnetic setup is desired. |
| |
-----------------------------------------------------------------------------
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 0.687897520984E+03 0.68790E+03 -0.20679E+04 384 0.529E+02
DAV: 2 0.103271315789E+03 -0.58463E+03 -0.52660E+03 544 0.127E+02
DAV: 3 -0.146302003339E+03 -0.24957E+03 -0.24708E+03 432 0.883E+01
DAV: 4 -0.169066906003E+03 -0.22765E+02 -0.22651E+02 432 0.339E+01
DAV: 5 -0.169562043920E+03 -0.49514E+00 -0.49396E+00 480 0.489E+00 0.418E+01
DAV: 6 -0.700494022260E+02 0.99513E+02 -0.24373E+02 368 0.396E+01 0.203E+01
DAV: 7 -0.119882447197E+03 -0.49833E+02 -0.39808E+01 408 0.160E+01 0.129E+01
DAV: 8 -0.135072853870E+03 -0.15190E+02 -0.66702E+00 408 0.683E+00 0.824E+00
DAV: 9 -0.164598798179E+03 -0.29526E+02 -0.13039E+01 384 0.868E+00 0.409E+00
DAV: 10 -0.176429315775E+03 -0.11831E+02 -0.57160E+00 392 0.509E+00 0.311E+00
DAV: 11 -0.183953929133E+03 -0.75246E+01 -0.38136E+00 352 0.421E+00 0.214E+00
DAV: 12 -0.188052943013E+03 -0.40990E+01 -0.19688E+00 384 0.304E+00 0.140E+00
DAV: 13 -0.189208673732E+03 -0.11557E+01 -0.30248E-01 408 0.128E+00 0.944E-01
DAV: 14 -0.190166654676E+03 -0.95798E+00 -0.19430E-01 392 0.103E+00 0.732E-01
DAV: 15 -0.190680691881E+03 -0.51404E+00 -0.68344E-02 392 0.589E-01 0.427E-01
DAV: 16 -0.191230210066E+03 -0.54952E+00 -0.33198E-02 376 0.433E-01 0.274E-01
DAV: 17 -0.191621145171E+03 -0.39094E+00 -0.14493E-02 368 0.284E-01 0.165E-01
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.440935690109103E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.440935690109103E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.934992834696251E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.585768214163174E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.739138457932872E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.295321197880920E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.385565307935231E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
1.934992834696251E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
6.585768214163174E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
2.739138457932872E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.295321197880920E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
7.385565307935231E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
8.113613743641658E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
8.113613743641658E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.092713029438447E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-1.092713029438447E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.295983165371721E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.406394712992255E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.185979801463578E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.408964071346345E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.254812583249545E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.163044204386871E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.295983165371721E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.406394712992255E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-1.185979801463578E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.408964071346345E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-2.254812583249545E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.163044204386871E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.671037319320294E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.671037319320294E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.533250490827509E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.800970372439669E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.828162429839821E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.948001113581544E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.266037275295539E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.026103146630602E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.903587073633411E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
8.417535109368917E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.533250490827509E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.800970372439669E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.828162429839821E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.948001113581544E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.266037275295539E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.026103146630602E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.903587073633411E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
8.417535109368917E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.956820670201856E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.718932088794410E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.204411331758100E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.956820670201856E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-6.718932088794410E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.204411331758100E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.746382611536082E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.050001540689696E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-4.746382611536082E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-2.050001540689696E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.681562283701493E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.262047592573920E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.681562283701493E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.262047592573920E-004
DAV: 18 -0.206354775346E+03 -0.14734E+02 -0.40630E-03 424 0.171E-01BRMIX: very serious problems
the old and the new charge density differ
old charge density: 86.99999 new 87.03890
0.370E+00
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.457130842857547E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.410902325439577E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-9.457130842857547E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.410902325439577E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.766111785053082E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.003954417356010E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.805982199525001E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.482919688149576E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.739072679719691E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-5.499150340939902E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.697214703811127E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-6.766111785053082E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-7.003954417356010E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.805982199525001E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.482919688149576E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.739072679719691E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-5.499150340939902E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-5.697214703811127E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-6.838217191734403E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.295515928778295E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.097205854858864E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-6.334748627096677E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.132348900798735E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-6.066974704899689E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-5.856006588895614E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-6.838217191734403E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-7.295515928778295E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.097205854858864E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-6.334748627096677E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.132348900798735E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-6.066974704899689E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-5.856006588895614E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.444824764692168E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-1.444824764692168E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.197876033079429E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.085494879192043E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.975699960099579E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.946192997395459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.133449176409172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.036152099267820E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.078804432956956E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.865583878140899E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.197876033079429E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-2.085494879192043E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.975699960099579E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.946192997395459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-2.133449176409172E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
1.036152099267820E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.078804432956956E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
5.865583878140899E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.631265364002568E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.440203783536353E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.257550720545331E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.326506893650992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.942451641765409E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.995887851466813E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.631265364002568E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.440203783536353E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-2.257550720545331E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.326506893650992E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.942451641765409E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.995887851466813E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.423766811571307E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.259050733893265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.096593275730717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.151300683880443E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-3.829497191446777E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
3.152608050591413E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
9.149338940826091E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.220035740034134E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.423766811571307E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.259050733893265E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.096593275730717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.151300683880443E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-3.829497191446777E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
3.152608050591413E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
9.149338940826091E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.220035740034134E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.659167316494418E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.057633588208413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.080516766098755E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.139560158013633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.599240830247250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.990511852425582E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.830147672227473E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-4.721159304852017E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-2.659167316494418E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-5.057633588208413E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.080516766098755E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-5.139560158013633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.599240830247250E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-4.990511852425582E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-4.830147672227473E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-4.721159304852017E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.740943483639597E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.958806035401647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
6.377111893859136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.610940327426586E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
4.740943483639597E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
5.958806035401647E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
6.377111893859136E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
5.610940327426586E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.945291570709595E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.366271716016261E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.413792595813997E-002
5.945291570709595E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.366271716016261E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
5.413792595813997E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.915654066494104E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.194039055440243E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.711161912987531E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.156067275480362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.442672226577001E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.786572774333172E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.020595338348939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.915654066494104E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
1.194039055440243E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
1.711161912987531E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
1.156067275480362E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
1.442672226577001E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
8.786572774333172E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
1.020595338348939E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.643662661592029E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.584931667978664E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.328567347428839E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.064208825806815E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.157797588532457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.374864107958894E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
7.694871960309773E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.643662661592029E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
8.584931667978664E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.328567347428839E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.064208825806815E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
1.157797588532457E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
6.374864107958894E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
7.694871960309773E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.086518410922560E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.971198719899803E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-8.895746740065794E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.155920064665075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-9.148802687057929E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.442247329767351E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-7.325485275471308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.062949826825349E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.086518410922560E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-8.971198719899803E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-8.895746740065794E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.155920064665075E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-9.148802687057929E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.442247329767351E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-7.325485275471308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-7.062949826825349E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.317045418748596E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.538068974619600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.244619673061608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.945186585709901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.328710735475717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
8.000256953643793E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.471297930480743E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.047491840297121E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.317045418748596E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
8.538068974619600E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
9.244619673061608E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
8.945186585709901E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.328710735475717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
8.000256953643793E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
7.471297930480743E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
7.047491840297121E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.918407241437449E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.257301390042188E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.410537575822037E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.991131188598717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.378703472741907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.466928104898294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.878195508810542E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.437263680795701E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
3.918407241437449E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
3.257301390042188E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
4.410537575822037E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
4.991131188598717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.378703472741907E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
4.466928104898294E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.878195508810542E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
3.437263680795701E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.335435604817690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.412991078166790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.983156805947588E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.657039442904958E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.143690377926886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.918794857486277E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.157900369562581E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.524301617896597E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
2.335435604817690E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
1.412991078166790E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.983156805947588E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.657039442904958E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
1.143690377926886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
2.918794857486277E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
2.157900369562581E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
1.524301617896597E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.867730225659688E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.867730225659688E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.113890000559996
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.148660719208376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-8.373414205270702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.066258581416159E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.746268185441049E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.279119760372378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-6.296831269609340E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-4.832536076931936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.113890000559996
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-9.148660719208376E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-8.373414205270702E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.066258581416159E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-8.746268185441049E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.279119760372378E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-6.296831269609340E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-4.832536076931936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.107957758230839
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.676799917397417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.318492231223548E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.389686170222582E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.897139764271720E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.311349963932704E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.385552546814957E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.987121302934840E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.107957758230839
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
7.676799917397417E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.318492231223548E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
3.389686170222582E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
6.897139764271720E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
5.311349963932704E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.385552546814957E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.987121302934840E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.067160970658568E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-2.067160970658568E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-5.064965830380886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.649089869196504E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-6.948471079035602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.111094223619332E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-7.991941753304459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-6.032805880383112E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.546936392800962E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-5.064965830380886E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.649089869196504E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-6.948471079035602E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.111094223619332E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-7.991941753304459E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-6.032805880383112E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-9.546936392800962E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.289939158713318E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.254791198379064E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.766609817142686E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.982201937342215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.646312807676308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.114371191577433
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.645238461957936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.141518841991692
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.289939158713318E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-7.254791198379064E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-5.766609817142686E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.982201937342215E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.646312807676308E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.114371191577433
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.645238461957936E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-0.141518841991692
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.213456037006683E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.666059701776429E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.361779263674815E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.213456037006683E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-1.666059701776429E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.361779263674815E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.190460462029274
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.192261539080745
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.182027216783106
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.198012671442402
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.147581905662005
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.113932807614140
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.161838120273694
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.124640507629843
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.190460462029274
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.192261539080745
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.182027216783106
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.198012671442402
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-0.147581905662005
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-0.113932807614140
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.161838120273694
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.124640507629843
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.726405245585479E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
9.749090302970441E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.683966295359419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
5.970782911679812E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.861985023587970E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.451336544046602
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.126654351281059
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.219051783315218
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
9.726405245585479E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
9.749090302970441E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
8.683966295359419E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
5.970782911679812E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
7.861985023587970E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.451336544046602
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.126654351281059
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.219051783315218
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.853732822305522E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-7.090086206366313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.108886755294280
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-6.501131675018092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.104365246624727
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.597509557671919
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-8.819664740920137E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.719402350015991E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.853732822305522E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-7.090086206366313E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-0.108886755294280
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-6.501131675018092E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-0.104365246624727
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.597509557671919
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-8.819664740920137E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.719402350015991E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.204611692821593
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.168428682631578
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.212945073949169
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-8.690824291755783E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.207168254892576
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.802343264576825
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.124187863317928
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-6.899181394169270E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.204611692821593
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.168428682631578
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-0.212945073949169
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-8.690824291755783E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-0.207168254892576
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.802343264576825
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.124187863317928
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-6.899181394169270E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.974066612002193E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.164833256210406E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.312101042864771E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.317780426822631E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.353155075786597E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.091437091873961E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.981909843061598E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.538906445443023E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.974066612002193E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.164833256210406E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.312101042864771E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.317780426822631E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-5.353155075786597E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-8.091437091873961E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-3.981909843061598E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.538906445443023E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.732196849812848
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.517598542797397
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.550379408957933E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.568468129894040
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.825855425930129E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.227053201201126E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.910183047889114E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.137133053056754
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.732196849812848
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.517598542797397
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
6.550379408957933E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.568468129894040
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
4.825855425930129E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.227053201201126E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.910183047889114E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.137133053056754
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.579273171838945
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.444942215871052
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.259419790260359E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.395877553887989
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.230641545473694
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.300150080805050
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.247425192778338
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.162382568863447
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-0.579273171838945
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-0.444942215871052
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.259419790260359E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-0.395877553887989
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
0.230641545473694
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.300150080805050
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-0.247425192778338
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
0.162382568863447
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.331819066018268
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.518874532094683
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.02596110609816
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.402619118516223
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.362599939856724
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.632582777968991
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.548475669402424
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.399183657850467
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
0.331819066018268
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-0.518874532094683
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-1.02596110609816
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-0.402619118516223
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
0.362599939856724
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.632582777968991
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-0.548475669402424
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-0.399183657850467
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.114293210729503
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.634712614630345
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.09117038933278
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.592103134900767
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.491935805101747E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.270359335665040
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.667491282567372
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.274019334732337E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-0.114293210729503
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-0.634712614630345
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-1.09117038933278
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-0.592103134900767
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.491935805101747E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-0.270359335665040
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.667491282567372
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
4.274019334732337E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.329888719703887E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.636107646532433E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.388825369946489E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.982815774371185E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.131618340612477E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.921305708696237E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.952729418225629E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-8.329888719703887E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-2.636107646532433E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-5.388825369946489E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
-2.982815774371185E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-7.131618340612477E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-9.921305708696237E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-7.952729418225629E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.452590278608185E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.202756603331718
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.166776622202828
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.368661247590755
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.168575982288757E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.041467501521180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.291179116489408E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.167384837350156
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-9.452590278608185E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.202756603331718
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-0.166776622202828
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-0.368661247590755
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.168575982288757E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-7.041467501521180E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
4.291179116489408E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
0.167384837350156
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.128418388119452
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.95434162335416
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.52032322679222
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.13849315505585
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.15825245362178
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.390215842923564
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.419875604740648
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.513972524081117
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.128418388119452
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.95434162335416
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.52032322679222
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-2.13849315505585
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.15825245362178
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-0.390215842923564
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.419875604740648
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.513972524081117
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.89105210783797
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.32665306249075
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.93117513947414
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.47795509894874
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.02512088678134
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.690751211991582
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.84468544783674
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.89105210783797
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.32665306249075
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.93117513947414
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-2.47795509894874
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.02512088678134
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-0.690751211991582
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.84468544783674
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-2.39957160375531
-2.39957160375531
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.08617465774719
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.40598887231918
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.24416008369070
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.20307706627898
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.67542598164314
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.62072224471851
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.13134423508041
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.15572131054791
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-1.08617465774719
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.40598887231918
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.24416008369070
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.20307706627898
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-1.67542598164314
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.62072224471851
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-2.13134423508041
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-2.15572131054791
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.274926142758445E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.988511064191822E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-2.819395674580714E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.143671126562098E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.567946289218082E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.909862327108832E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.416593398667307E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.791565840783392E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.274926142758445E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.988511064191822E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-2.819395674580714E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
8.143671126562098E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
5.567946289218082E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.909862327108832E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
9.416593398667307E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.791565840783392E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.712811811434990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.509559853694308
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.800351830008549E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.05515106226694
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.444189872939638
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.22091684331248
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-9.914904452996558E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.121125255207010
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
3.712811811434990E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.509559853694308
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-1.800351830008549E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.05515106226694
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.444189872939638
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.22091684331248
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-9.914904452996558E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-0.121125255207010
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.599047403763360
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
0.599047403763360
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.39162722727657
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.407668873867856E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.26225715877652
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.92479391930079
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.29416599422389
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.140238347434237
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.639915524977026
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.39162722727657
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-7.407668873867856E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.26225715877652
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-2.92479391930079
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.29416599422389
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
0.140238347434237
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-0.639915524977026
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.05035843141995
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.50570453972680
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.34284605619729
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.39931077718106
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.99886809062447
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.71863798669230
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.641547681915627E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.64607673969576
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-3.05035843141995
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.50570453972680
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-2.34284605619729
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-4.39931077718106
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-2.99886809062447
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-3.71863798669230
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
3.641547681915627E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-1.64607673969576
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.56772311971196
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.49394941773306
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.97899422342547
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.10524073731043
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.35025454385117
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-3.71840484808081
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.225024975748190
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.39269010336410
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-3.56772311971196
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-3.49394941773306
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-2.97899422342547
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-5.10524073731043
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-4.35025454385117
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-3.71840484808081
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-0.225024975748190
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-4.39269010336410
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.176304726057793E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.746082027747083E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-4.295779567360781E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.081064419674636E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.558373411195321E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.266431449613473E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.176304726057793E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
1.746082027747083E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-4.295779567360781E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-3.081064419674636E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.558373411195321E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.266431449613473E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.157093444241955
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.545675647893583
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.323261192670293
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.119697051019800
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.215271219228173
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.185764745670003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.952057280858120
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-9.85355879658376
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.157093444241955
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
0.545675647893583
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
0.323261192670293
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
0.119697051019800
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
0.215271219228173
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
0.185764745670003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-0.952057280858120
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-9.85355879658376
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.46594412278951
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.14226612949992
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.09680171096520
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.49719857333195
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.359875984784370
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.03529623786277
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.83295099893708
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-23.7259417914906
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-2.46594412278951
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.14226612949992
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.09680171096520
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-3.49719857333195
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-0.359875984784370
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-3.03529623786277
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-4.83295099893708
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-23.7259417914906
DAV: 19 -0.621716589825E+06 -0.62151E+06 -0.52030E+06 448 0.639E+00BRMIX: very serious problems
the old and the new charge density differ
old charge density: 87.03890 new 87.48217
0.215E+02
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.081543627323832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.148990505827310
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.466104208516470
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.163749472251414
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.170689706896801
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.186979370384198
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.482234538957272
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.416874369980666
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.081543627323832E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
0.148990505827310
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.466104208516470
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.163749472251414
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
0.170689706896801
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
0.186979370384198
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.482234538957272
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-0.416874369980666
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.611469792265849
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.262238709094589
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.92153428797875
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.54875052295167
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.79081375886343
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.68802135547085
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.58109252362691
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.76008679182922
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
0.611469792265849
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.262238709094589
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-6.92153428797875
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-1.54875052295167
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
1.79081375886343
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-1.68802135547085
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.58109252362691
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-1.76008679182922
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.20595671021565
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.86765308296574
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-21.8949068385105
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-14.3079911595296
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.37091058986503
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-15.5065011239598
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-16.5533416130739
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-13.6540909680338
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-7.20595671021565
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-5.86765308296574
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-21.8949068385105
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-14.3079911595296
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.37091058986503
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-15.5065011239598
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-16.5533416130739
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-13.6540909680338
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-37.9470073176126
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-20.5487165688886
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-33.3949718752266
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-17.1021272444796
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-21.4905681832405
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-16.7114910603583
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-37.2984516045044
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-15.8939220520949
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-37.9470073176126
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-20.5487165688886
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-33.3949718752266
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-17.1021272444796
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
-21.4905681832405
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-16.7114910603583
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-37.2984516045044
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
-15.8939220520949
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-44.8673959975281
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-23.8333348869189
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-35.5744818709383
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-16.9229779458107
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-28.5358853119377
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-16.5509553821978
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-42.0898816778400
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-15.7379537973798
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-44.8673959975281
WARNING: Sub-Space-Matrix is not hermitian in DAV 34
-23.8333348869189
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-35.5744818709383
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-16.9229779458107
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-28.5358853119377
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-16.5509553821978
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-42.0898816778400
WARNING: Sub-Space-Matrix is not hermitian in DAV 40
-15.7379537973798
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.624383967886597
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.17089734357367
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.559935574170590
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.248951308148076
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.513215500393782E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.023762104128155E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.410115032981809
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.609739390745137
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
0.624383967886597
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.17089734357367
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-0.559935574170590
WARNING: Sub-Space-Matrix is not hermitian in DAV 4
0.248951308148076
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-3.513215500393782E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-5.023762104128155E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
0.410115032981809
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
0.609739390745137
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.315401225246441
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
24.5484709214200
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-90.9899168578046
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
14.6656740309846
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-4.54270109429518
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.84356040762389
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-71.3183630669540
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
19.4301265547144
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-0.315401225246441
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
24.5484709214200
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-90.9899168578046
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
14.6656740309846
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-4.54270109429518
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
4.84356040762389
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-71.3183630669540
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
19.4301265547144
-----------------------------------------------------------------------------
| |
| 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 = 11 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-task33684"
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
*****************************