iterations/neb0_image08_iter57_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 0.375902599174E+03 0.37590E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.376514626427E+01 -0.37214E+03 -0.35847E+03 869 0.196E+02
DAV: 3 -0.967401468578E+02 -0.10051E+03 -0.10017E+03 688 0.117E+02
DAV: 4 -0.101084604310E+03 -0.43445E+01 -0.43344E+01 704 0.275E+01
DAV: 5 -0.101169522638E+03 -0.84918E-01 -0.84883E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.925570968275E+02 0.86124E+01 -0.30824E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916883282580E+02 0.86877E+00 -0.16770E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.913088718063E+02 0.37946E+00 -0.56074E-01 704 0.404E+00 0.163E+00
DAV: 9 -0.912254660021E+02 0.83406E-01 -0.12845E-01 712 0.154E+00 0.427E-01
DAV: 10 -0.912159148945E+02 0.95511E-02 -0.47439E-02 728 0.112E+00 0.309E-01
DAV: 11 -0.912208073679E+02 -0.48925E-02 -0.14818E-02 616 0.624E-01 0.166E-01
DAV: 12 -0.912236930616E+02 -0.28857E-02 -0.32956E-03 633 0.248E-01 0.132E-01
DAV: 13 -0.912276977739E+02 -0.40047E-02 -0.24158E-03 720 0.283E-01 0.512E-02
DAV: 14 -0.912305719363E+02 -0.28742E-02 -0.46594E-04 656 0.108E-01 0.410E-02
DAV: 15 -0.912328467077E+02 -0.22748E-02 -0.21042E-04 653 0.621E-02 0.322E-02
DAV: 16 -0.912338626138E+02 -0.10159E-02 -0.35241E-04 677 0.912E-02 0.256E-02
DAV: 17 -0.912341352245E+02 -0.27261E-03 -0.56511E-05 632 0.490E-02 0.120E-02
DAV: 18 -0.912343582325E+02 -0.22301E-03 -0.42317E-05 570 0.278E-02 0.730E-03
DAV: 19 -0.912343880501E+02 -0.29818E-04 -0.44911E-06 528 0.164E-02 0.350E-03
DAV: 20 -0.912344302902E+02 -0.42240E-04 -0.10949E-05 395 0.201E-02 0.502E-03
DAV: 21 -0.912344456359E+02 -0.15346E-04 -0.25020E-06 469 0.107E-02 0.322E-03
DAV: 22 -0.912344498270E+02 -0.41911E-05 -0.34677E-06 488 0.111E-02
1 F= -.91234450E+02 E0= -.91239245E+02 d E =0.143849E-01