./iterations/neb0_image07_iter63_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.378410981686E+03 0.37841E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.442445012211E+01 -0.37399E+03 -0.36065E+03 869 0.196E+02
DAV: 3 -0.963866661913E+02 -0.10081E+03 -0.10048E+03 672 0.117E+02
DAV: 4 -0.100867818666E+03 -0.44812E+01 -0.44707E+01 704 0.285E+01
DAV: 5 -0.100955659033E+03 -0.87840E-01 -0.87803E-01 720 0.358E+00 0.228E+01
DAV: 6 -0.923171758003E+02 0.86385E+01 -0.30650E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.914339866030E+02 0.88319E+00 -0.16711E+00 736 0.615E+00 0.483E+00
DAV: 8 -0.910490100367E+02 0.38498E+00 -0.56429E-01 696 0.411E+00 0.163E+00
DAV: 9 -0.909640185874E+02 0.84991E-01 -0.13289E-01 712 0.156E+00 0.429E-01
DAV: 10 -0.909540067682E+02 0.10012E-01 -0.48542E-02 744 0.113E+00 0.313E-01
DAV: 11 -0.909583115577E+02 -0.43048E-02 -0.12248E-02 613 0.584E-01 0.138E-01
DAV: 12 -0.909614405075E+02 -0.31289E-02 -0.35712E-03 608 0.283E-01 0.135E-01
DAV: 13 -0.909651349490E+02 -0.36944E-02 -0.17719E-03 741 0.266E-01 0.530E-02
DAV: 14 -0.909678174447E+02 -0.26825E-02 -0.66714E-04 664 0.119E-01 0.489E-02
DAV: 15 -0.909706136158E+02 -0.27962E-02 -0.29681E-04 634 0.820E-02 0.360E-02
DAV: 16 -0.909717347429E+02 -0.11211E-02 -0.33209E-04 677 0.921E-02 0.217E-02
DAV: 17 -0.909723527907E+02 -0.61805E-03 -0.86440E-05 653 0.552E-02 0.134E-02
DAV: 18 -0.909725246624E+02 -0.17187E-03 -0.30075E-05 608 0.266E-02 0.933E-03
DAV: 19 -0.909726007897E+02 -0.76127E-04 -0.17002E-05 450 0.300E-02 0.369E-03
DAV: 20 -0.909726165874E+02 -0.15798E-04 -0.73415E-06 536 0.149E-02 0.430E-03
DAV: 21 -0.909726364952E+02 -0.19908E-04 -0.27565E-06 415 0.111E-02 0.219E-03
DAV: 22 -0.909726526919E+02 -0.16197E-04 -0.28835E-06 426 0.848E-03 0.139E-03
DAV: 23 -0.909726560959E+02 -0.34040E-05 -0.57433E-07 485 0.403E-03
1 F= -.90972656E+02 E0= -.90977766E+02 d E =0.153298E-01