./iterations/neb0_image09_iter117_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 0.374762740843E+03 0.37476E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.248277897028E+01 -0.37228E+03 -0.35993E+03 877 0.196E+02
DAV: 3 -0.967214922761E+02 -0.99204E+02 -0.98870E+02 656 0.117E+02
DAV: 4 -0.101256690452E+03 -0.45352E+01 -0.45257E+01 704 0.289E+01
DAV: 5 -0.101345906400E+03 -0.89216E-01 -0.89177E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926752412228E+02 0.86707E+01 -0.30887E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.918044552837E+02 0.87079E+00 -0.17144E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914275295750E+02 0.37693E+00 -0.54180E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913447329217E+02 0.82797E-01 -0.13136E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913358800028E+02 0.88529E-02 -0.45998E-02 784 0.113E+00 0.304E-01
DAV: 11 -0.913402731288E+02 -0.43931E-02 -0.12945E-02 616 0.595E-01 0.141E-01
DAV: 12 -0.913432484921E+02 -0.29754E-02 -0.29552E-03 631 0.242E-01 0.116E-01
DAV: 13 -0.913471197775E+02 -0.38713E-02 -0.16716E-03 704 0.223E-01 0.436E-02
DAV: 14 -0.913504381557E+02 -0.33184E-02 -0.56236E-04 661 0.129E-01 0.333E-02
DAV: 15 -0.913519640175E+02 -0.15259E-02 -0.12860E-04 712 0.664E-02 0.326E-02
DAV: 16 -0.913533128128E+02 -0.13488E-02 -0.35388E-04 644 0.945E-02 0.209E-02
DAV: 17 -0.913535599214E+02 -0.24711E-03 -0.55160E-05 688 0.563E-02 0.126E-02
DAV: 18 -0.913537924027E+02 -0.23248E-03 -0.48299E-05 614 0.329E-02 0.117E-02
DAV: 19 -0.913538798963E+02 -0.87494E-04 -0.89719E-06 480 0.203E-02 0.576E-03
DAV: 20 -0.913539200538E+02 -0.40157E-04 -0.22983E-05 512 0.284E-02 0.559E-03
DAV: 21 -0.913539344144E+02 -0.14361E-04 -0.33240E-06 456 0.154E-02 0.290E-03
DAV: 22 -0.913539413426E+02 -0.69282E-05 -0.32897E-06 434 0.940E-03
1 F= -.91353941E+02 E0= -.91358689E+02 d E =0.142431E-01