./iterations/neb0_image05_iter286_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 0.368302382605E+03 0.36830E+03 -0.14315E+04 624 0.799E+02
DAV: 2 0.478324268986E+01 -0.36352E+03 -0.34995E+03 837 0.196E+02
DAV: 3 -0.951952975174E+02 -0.99979E+02 -0.99632E+02 640 0.117E+02
DAV: 4 -0.100165500982E+03 -0.49702E+01 -0.49571E+01 704 0.304E+01
DAV: 5 -0.100266421476E+03 -0.10092E+00 -0.10088E+00 736 0.388E+00 0.223E+01
DAV: 6 -0.915824963512E+02 0.86839E+01 -0.31068E+01 688 0.301E+01 0.118E+01
DAV: 7 -0.907531228137E+02 0.82937E+00 -0.17835E+00 712 0.655E+00 0.486E+00
DAV: 8 -0.903656503797E+02 0.38747E+00 -0.52244E-01 720 0.445E+00 0.180E+00
DAV: 9 -0.902792448232E+02 0.86406E-01 -0.14739E-01 728 0.200E+00 0.551E-01
DAV: 10 -0.902669349106E+02 0.12310E-01 -0.28480E-02 728 0.916E-01 0.332E-01
DAV: 11 -0.902679941216E+02 -0.10592E-02 -0.13961E-02 688 0.613E-01 0.210E-01
DAV: 12 -0.902706951509E+02 -0.27010E-02 -0.38843E-03 736 0.397E-01 0.107E-01
DAV: 13 -0.902735629181E+02 -0.28678E-02 -0.15173E-03 632 0.213E-01 0.102E-01
DAV: 14 -0.902775391039E+02 -0.39762E-02 -0.16996E-03 758 0.251E-01 0.488E-02
DAV: 15 -0.902802463444E+02 -0.27072E-02 -0.48858E-04 688 0.109E-01 0.395E-02
DAV: 16 -0.902829564397E+02 -0.27101E-02 -0.54267E-04 719 0.139E-01 0.248E-02
DAV: 17 -0.902838213233E+02 -0.86488E-03 -0.10876E-04 704 0.560E-02 0.196E-02
DAV: 18 -0.902845171201E+02 -0.69580E-03 -0.15188E-04 665 0.707E-02 0.949E-03
DAV: 19 -0.902846969610E+02 -0.17984E-03 -0.33547E-05 640 0.315E-02 0.741E-03
DAV: 20 -0.902847525600E+02 -0.55599E-04 -0.58201E-06 480 0.134E-02 0.434E-03
DAV: 21 -0.902848030977E+02 -0.50538E-04 -0.12945E-05 454 0.197E-02 0.282E-03
DAV: 22 -0.902848105874E+02 -0.74896E-05 -0.22233E-06 496 0.773E-03
1 F= -.90284811E+02 E0= -.90293092E+02 d E =0.248436E-01