iterations/neb0_image01_iter277_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 0.362227754568E+03 0.36223E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.262225312705E+01 -0.35961E+03 -0.34726E+03 836 0.195E+02
DAV: 3 -0.956138635021E+02 -0.98236E+02 -0.97895E+02 661 0.115E+02
DAV: 4 -0.100182923804E+03 -0.45691E+01 -0.45561E+01 704 0.286E+01
DAV: 5 -0.100271225073E+03 -0.88301E-01 -0.88261E-01 728 0.360E+00 0.221E+01
DAV: 6 -0.916864823983E+02 0.85847E+01 -0.30958E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908908221586E+02 0.79566E+00 -0.18461E+00 720 0.640E+00 0.483E+00
DAV: 8 -0.905133705310E+02 0.37745E+00 -0.55175E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904271426436E+02 0.86228E-01 -0.13710E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.904217773848E+02 0.53653E-02 -0.44488E-02 717 0.124E+00 0.313E-01
DAV: 11 -0.904254717495E+02 -0.36944E-02 -0.63764E-03 608 0.469E-01 0.146E-01
DAV: 12 -0.904289469832E+02 -0.34752E-02 -0.69701E-03 620 0.500E-01 0.126E-01
DAV: 13 -0.904316755527E+02 -0.27286E-02 -0.13184E-03 768 0.294E-01 0.776E-02
DAV: 14 -0.904347920158E+02 -0.31165E-02 -0.17154E-03 642 0.198E-01 0.622E-02
DAV: 15 -0.904369118592E+02 -0.21198E-02 -0.44087E-04 744 0.144E-01 0.438E-02
DAV: 16 -0.904381501184E+02 -0.12383E-02 -0.71590E-04 672 0.151E-01 0.370E-02
DAV: 17 -0.904390236903E+02 -0.87357E-03 -0.18651E-04 845 0.929E-02 0.219E-02
DAV: 18 -0.904391686711E+02 -0.14498E-03 -0.44437E-05 720 0.335E-02 0.146E-02
DAV: 19 -0.904394165815E+02 -0.24791E-03 -0.66753E-05 625 0.444E-02 0.680E-03
DAV: 20 -0.904394562415E+02 -0.39660E-04 -0.51394E-06 488 0.156E-02 0.565E-03
DAV: 21 -0.904394992493E+02 -0.43008E-04 -0.84912E-06 420 0.167E-02 0.194E-03
DAV: 22 -0.904395139312E+02 -0.14682E-04 -0.27104E-06 480 0.769E-03 0.163E-03
DAV: 23 -0.904395173845E+02 -0.34533E-05 -0.59945E-07 512 0.391E-03
1 F= -.90439517E+02 E0= -.90444609E+02 d E =0.152743E-01