./iterations/neb0_image02_iter36_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 0.368312332813E+03 0.36831E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.429986808443E+01 -0.36401E+03 -0.34929E+03 842 0.195E+02
DAV: 3 -0.953865999308E+02 -0.99686E+02 -0.99344E+02 656 0.116E+02
DAV: 4 -0.100142967297E+03 -0.47564E+01 -0.47447E+01 720 0.294E+01
DAV: 5 -0.100235202968E+03 -0.92236E-01 -0.92196E-01 736 0.370E+00 0.223E+01
DAV: 6 -0.916046695955E+02 0.86305E+01 -0.30711E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.907688604530E+02 0.83581E+00 -0.18292E+00 712 0.637E+00 0.483E+00
DAV: 8 -0.903795716225E+02 0.38929E+00 -0.56481E-01 688 0.429E+00 0.169E+00
DAV: 9 -0.902880806368E+02 0.91491E-01 -0.14120E-01 696 0.166E+00 0.434E-01
DAV: 10 -0.902812304719E+02 0.68502E-02 -0.42689E-02 720 0.122E+00 0.310E-01
DAV: 11 -0.902850746761E+02 -0.38442E-02 -0.68447E-03 616 0.467E-01 0.145E-01
DAV: 12 -0.902883239825E+02 -0.32493E-02 -0.59241E-03 613 0.434E-01 0.120E-01
DAV: 13 -0.902912578713E+02 -0.29339E-02 -0.99547E-04 856 0.281E-01 0.754E-02
DAV: 14 -0.902944459034E+02 -0.31880E-02 -0.15492E-03 629 0.191E-01 0.554E-02
DAV: 15 -0.902968359601E+02 -0.23901E-02 -0.40471E-04 824 0.138E-01 0.308E-02
DAV: 16 -0.902981187049E+02 -0.12827E-02 -0.33522E-04 656 0.945E-02 0.299E-02
DAV: 17 -0.902990328201E+02 -0.91412E-03 -0.13978E-04 735 0.774E-02 0.156E-02
DAV: 18 -0.902992470844E+02 -0.21426E-03 -0.69878E-05 680 0.443E-02 0.103E-02
DAV: 19 -0.902994384023E+02 -0.19132E-03 -0.17398E-05 460 0.209E-02 0.618E-03
DAV: 20 -0.902995039497E+02 -0.65547E-04 -0.11203E-05 461 0.181E-02 0.210E-03
DAV: 21 -0.902995454010E+02 -0.41451E-04 -0.75414E-06 433 0.126E-02 0.241E-03
DAV: 22 -0.902995505415E+02 -0.51405E-05 -0.12566E-06 512 0.564E-03
1 F= -.90299551E+02 E0= -.90304814E+02 d E =0.157909E-01