iterations/neb0_image05_iter182_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 0.369856477573E+03 0.36986E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.335964306386E+01 -0.36650E+03 -0.35385E+03 861 0.195E+02
DAV: 3 -0.953827381411E+02 -0.98742E+02 -0.98415E+02 661 0.116E+02
DAV: 4 -0.100024731331E+03 -0.46420E+01 -0.46309E+01 704 0.289E+01
DAV: 5 -0.100118935894E+03 -0.94205E-01 -0.94154E-01 728 0.365E+00 0.222E+01
DAV: 6 -0.915759488644E+02 0.85430E+01 -0.30711E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.907814964735E+02 0.79445E+00 -0.18748E+00 736 0.640E+00 0.483E+00
DAV: 8 -0.904059981739E+02 0.37550E+00 -0.53481E-01 728 0.425E+00 0.170E+00
DAV: 9 -0.903157672908E+02 0.90231E-01 -0.13717E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903077837905E+02 0.79835E-02 -0.47521E-02 728 0.123E+00 0.319E-01
DAV: 11 -0.903116252058E+02 -0.38414E-02 -0.76370E-03 624 0.540E-01 0.127E-01
DAV: 12 -0.903142099487E+02 -0.25847E-02 -0.58529E-03 610 0.420E-01 0.125E-01
DAV: 13 -0.903166809116E+02 -0.24710E-02 -0.15008E-03 888 0.297E-01 0.725E-02
DAV: 14 -0.903202101125E+02 -0.35292E-02 -0.12410E-03 644 0.154E-01 0.502E-02
DAV: 15 -0.903226658270E+02 -0.24557E-02 -0.33526E-04 712 0.961E-02 0.387E-02
DAV: 16 -0.903242909218E+02 -0.16251E-02 -0.50885E-04 677 0.125E-01 0.271E-02
DAV: 17 -0.903250166371E+02 -0.72572E-03 -0.95738E-05 672 0.618E-02 0.259E-02
DAV: 18 -0.903252548927E+02 -0.23826E-03 -0.90886E-05 688 0.545E-02 0.125E-02
DAV: 19 -0.903253968694E+02 -0.14198E-03 -0.25588E-05 504 0.330E-02 0.464E-03
DAV: 20 -0.903254807420E+02 -0.83873E-04 -0.99778E-06 469 0.145E-02 0.413E-03
DAV: 21 -0.903255122114E+02 -0.31469E-04 -0.45827E-06 456 0.102E-02 0.234E-03
DAV: 22 -0.903255240863E+02 -0.11875E-04 -0.26747E-06 453 0.735E-03 0.109E-03
DAV: 23 -0.903255252246E+02 -0.11383E-05 -0.57146E-07 512 0.431E-03
1 F= -.90325525E+02 E0= -.90333351E+02 d E =0.234761E-01