./iterations/neb0_image07_iter281_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 0.375244181692E+03 0.37524E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.464558289026E+01 -0.37060E+03 -0.35932E+03 866 0.195E+02
DAV: 3 -0.962757956197E+02 -0.10092E+03 -0.10061E+03 648 0.117E+02
DAV: 4 -0.101204407230E+03 -0.49286E+01 -0.49165E+01 704 0.303E+01
DAV: 5 -0.101303149607E+03 -0.98742E-01 -0.98696E-01 728 0.387E+00 0.227E+01
DAV: 6 -0.926332788001E+02 0.86699E+01 -0.30945E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917620662952E+02 0.87121E+00 -0.17079E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.913844047503E+02 0.37766E+00 -0.54936E-01 736 0.400E+00 0.161E+00
DAV: 9 -0.913016507418E+02 0.82754E-01 -0.12702E-01 736 0.152E+00 0.422E-01
DAV: 10 -0.912923124469E+02 0.93383E-02 -0.43153E-02 733 0.105E+00 0.296E-01
DAV: 11 -0.912972400419E+02 -0.49276E-02 -0.12723E-02 613 0.572E-01 0.152E-01
DAV: 12 -0.913004761477E+02 -0.32361E-02 -0.30180E-03 617 0.236E-01 0.106E-01
DAV: 13 -0.913043345761E+02 -0.38584E-02 -0.20206E-03 646 0.237E-01 0.502E-02
DAV: 14 -0.913078678250E+02 -0.35332E-02 -0.87937E-04 653 0.181E-01 0.315E-02
DAV: 15 -0.913090211956E+02 -0.11534E-02 -0.17807E-04 680 0.774E-02 0.243E-02
DAV: 16 -0.913099122725E+02 -0.89108E-03 -0.20120E-04 690 0.922E-02 0.147E-02
DAV: 17 -0.913105214444E+02 -0.60917E-03 -0.58813E-05 650 0.394E-02 0.134E-02
DAV: 18 -0.913107000772E+02 -0.17863E-03 -0.18057E-05 504 0.221E-02 0.724E-03
DAV: 19 -0.913108675419E+02 -0.16746E-03 -0.30791E-05 537 0.259E-02 0.356E-03
DAV: 20 -0.913108863927E+02 -0.18851E-04 -0.21753E-06 520 0.967E-03 0.244E-03
DAV: 21 -0.913109091985E+02 -0.22806E-04 -0.42399E-06 394 0.116E-02 0.139E-03
DAV: 22 -0.913109121130E+02 -0.29146E-05 -0.71054E-07 496 0.498E-03
1 F= -.91310912E+02 E0= -.91315396E+02 d E =0.134502E-01