./iterations/neb0_image06_iter111_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 0.376369802816E+03 0.37637E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.392952772632E+01 -0.37244E+03 -0.36040E+03 877 0.195E+02
DAV: 3 -0.955704767380E+02 -0.99500E+02 -0.99169E+02 645 0.117E+02
DAV: 4 -0.100291561937E+03 -0.47211E+01 -0.47101E+01 704 0.294E+01
DAV: 5 -0.100388320443E+03 -0.96759E-01 -0.96710E-01 728 0.375E+00 0.227E+01
DAV: 6 -0.917742763304E+02 0.86140E+01 -0.30729E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.909397610351E+02 0.83452E+00 -0.17236E+00 728 0.628E+00 0.480E+00
DAV: 8 -0.905614840212E+02 0.37828E+00 -0.51162E-01 720 0.399E+00 0.166E+00
DAV: 9 -0.904712623504E+02 0.90222E-01 -0.13211E-01 720 0.169E+00 0.420E-01
DAV: 10 -0.904623259458E+02 0.89364E-02 -0.36418E-02 792 0.981E-01 0.293E-01
DAV: 11 -0.904667236916E+02 -0.43977E-02 -0.14039E-02 605 0.750E-01 0.181E-01
DAV: 12 -0.904677633953E+02 -0.10397E-02 -0.27117E-03 696 0.331E-01 0.120E-01
DAV: 13 -0.904725812181E+02 -0.48178E-02 -0.45536E-03 645 0.438E-01 0.102E-01
DAV: 14 -0.904741630293E+02 -0.15818E-02 -0.67195E-04 712 0.172E-01 0.741E-02
DAV: 15 -0.904765574982E+02 -0.23945E-02 -0.10685E-03 637 0.203E-01 0.279E-02
DAV: 16 -0.904789305019E+02 -0.23730E-02 -0.33472E-04 658 0.971E-02 0.271E-02
DAV: 17 -0.904796317355E+02 -0.70123E-03 -0.36663E-05 640 0.354E-02 0.187E-02
DAV: 18 -0.904804963544E+02 -0.86462E-03 -0.21330E-04 623 0.878E-02 0.156E-02
DAV: 19 -0.904805749752E+02 -0.78621E-04 -0.19773E-05 576 0.370E-02 0.122E-02
DAV: 20 -0.904806538609E+02 -0.78886E-04 -0.31636E-05 560 0.329E-02 0.498E-03
DAV: 21 -0.904807236437E+02 -0.69783E-04 -0.62053E-06 439 0.142E-02 0.309E-03
DAV: 22 -0.904807574733E+02 -0.33830E-04 -0.60175E-06 426 0.131E-02 0.146E-03
DAV: 23 -0.904807706092E+02 -0.13136E-04 -0.19098E-06 433 0.669E-03 0.128E-03
DAV: 24 -0.904807717402E+02 -0.11310E-05 -0.44961E-07 517 0.346E-03
1 F= -.90480772E+02 E0= -.90489133E+02 d E =0.250833E-01