./iterations/neb0_image09_iter168_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 0.374138664913E+03 0.37414E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.325218720256E+01 -0.37089E+03 -0.35812E+03 869 0.196E+02
DAV: 3 -0.968157296934E+02 -0.10007E+03 -0.99741E+02 669 0.117E+02
DAV: 4 -0.101271462324E+03 -0.44557E+01 -0.44454E+01 720 0.283E+01
DAV: 5 -0.101358085904E+03 -0.86624E-01 -0.86584E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926803279171E+02 0.86778E+01 -0.30989E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918072418032E+02 0.87309E+00 -0.17220E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914306211766E+02 0.37662E+00 -0.54213E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913491251871E+02 0.81496E-01 -0.13222E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913409078693E+02 0.82173E-02 -0.44946E-02 776 0.112E+00 0.301E-01
DAV: 11 -0.913453336158E+02 -0.44257E-02 -0.12484E-02 616 0.584E-01 0.136E-01
DAV: 12 -0.913484120826E+02 -0.30785E-02 -0.28471E-03 634 0.240E-01 0.112E-01
DAV: 13 -0.913520728425E+02 -0.36608E-02 -0.16100E-03 704 0.217E-01 0.426E-02
DAV: 14 -0.913553431792E+02 -0.32703E-02 -0.58200E-04 664 0.139E-01 0.316E-02
DAV: 15 -0.913567688379E+02 -0.14257E-02 -0.14579E-04 672 0.743E-02 0.326E-02
DAV: 16 -0.913581020188E+02 -0.13332E-02 -0.33655E-04 645 0.973E-02 0.200E-02
DAV: 17 -0.913583829674E+02 -0.28095E-03 -0.50769E-05 688 0.541E-02 0.132E-02
DAV: 18 -0.913586003206E+02 -0.21735E-03 -0.45315E-05 629 0.338E-02 0.107E-02
DAV: 19 -0.913587243133E+02 -0.12399E-03 -0.11660E-05 472 0.183E-02 0.522E-03
DAV: 20 -0.913587640786E+02 -0.39765E-04 -0.10557E-05 456 0.190E-02 0.220E-03
DAV: 21 -0.913587857165E+02 -0.21638E-04 -0.41445E-06 434 0.960E-03 0.239E-03
DAV: 22 -0.913587897133E+02 -0.39969E-05 -0.81163E-07 488 0.434E-03
1 F= -.91358790E+02 E0= -.91363719E+02 d E =0.147890E-01