./iterations/neb0_image09_iter85_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 0.374618402439E+03 0.37462E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251222841296E+01 -0.37211E+03 -0.35975E+03 877 0.196E+02
DAV: 3 -0.968584762422E+02 -0.99371E+02 -0.99033E+02 672 0.117E+02
DAV: 4 -0.101238683238E+03 -0.43802E+01 -0.43712E+01 696 0.280E+01
DAV: 5 -0.101324825609E+03 -0.86142E-01 -0.86105E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926702119336E+02 0.86546E+01 -0.30881E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918012017385E+02 0.86901E+00 -0.17118E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914235506709E+02 0.37765E+00 -0.54512E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913413793091E+02 0.82171E-01 -0.13100E-01 701 0.155E+00 0.425E-01
DAV: 10 -0.913325296324E+02 0.88497E-02 -0.46306E-02 776 0.113E+00 0.304E-01
DAV: 11 -0.913369869622E+02 -0.44573E-02 -0.13088E-02 610 0.598E-01 0.142E-01
DAV: 12 -0.913399519134E+02 -0.29650E-02 -0.30298E-03 623 0.242E-01 0.117E-01
DAV: 13 -0.913438058689E+02 -0.38540E-02 -0.17057E-03 725 0.227E-01 0.431E-02
DAV: 14 -0.913471505294E+02 -0.33447E-02 -0.53867E-04 664 0.120E-01 0.350E-02
DAV: 15 -0.913488373134E+02 -0.16868E-02 -0.15849E-04 688 0.722E-02 0.347E-02
DAV: 16 -0.913500213742E+02 -0.11841E-02 -0.35694E-04 658 0.933E-02 0.216E-02
DAV: 17 -0.913502517632E+02 -0.23039E-03 -0.62653E-05 696 0.569E-02 0.116E-02
DAV: 18 -0.913505076921E+02 -0.25593E-03 -0.44912E-05 585 0.285E-02 0.108E-02
DAV: 19 -0.913505532250E+02 -0.45533E-04 -0.64099E-06 496 0.181E-02 0.481E-03
DAV: 20 -0.913505919881E+02 -0.38763E-04 -0.14816E-05 410 0.235E-02 0.436E-03
DAV: 21 -0.913506058309E+02 -0.13843E-04 -0.27154E-06 472 0.923E-03 0.367E-03
DAV: 22 -0.913506127440E+02 -0.69130E-05 -0.24999E-06 401 0.105E-02
1 F= -.91350613E+02 E0= -.91355381E+02 d E =0.143050E-01