./iterations/neb0_image06_iter125_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 0.375312864877E+03 0.37531E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.375443811502E+01 -0.37156E+03 -0.35968E+03 882 0.195E+02
DAV: 3 -0.955380461298E+02 -0.99292E+02 -0.98976E+02 648 0.116E+02
DAV: 4 -0.100286359868E+03 -0.47483E+01 -0.47357E+01 704 0.294E+01
DAV: 5 -0.100384243141E+03 -0.97883E-01 -0.97837E-01 736 0.376E+00 0.226E+01
DAV: 6 -0.918148871665E+02 0.85694E+01 -0.30790E+01 709 0.305E+01 0.118E+01
DAV: 7 -0.910082325147E+02 0.80665E+00 -0.17541E+00 712 0.632E+00 0.480E+00
DAV: 8 -0.906326479588E+02 0.37558E+00 -0.49211E-01 720 0.399E+00 0.170E+00
DAV: 9 -0.905400432469E+02 0.92605E-01 -0.13858E-01 717 0.174E+00 0.418E-01
DAV: 10 -0.905314493052E+02 0.85939E-02 -0.38188E-02 800 0.103E+00 0.296E-01
DAV: 11 -0.905360184658E+02 -0.45692E-02 -0.15558E-02 602 0.778E-01 0.187E-01
DAV: 12 -0.905369078721E+02 -0.88941E-03 -0.28022E-03 682 0.326E-01 0.130E-01
DAV: 13 -0.905417118692E+02 -0.48040E-02 -0.55394E-03 681 0.496E-01 0.100E-01
DAV: 14 -0.905431050322E+02 -0.13932E-02 -0.81650E-04 768 0.192E-01 0.793E-02
DAV: 15 -0.905454466261E+02 -0.23416E-02 -0.10604E-03 701 0.207E-01 0.280E-02
DAV: 16 -0.905477857563E+02 -0.23391E-02 -0.39185E-04 650 0.106E-01 0.297E-02
DAV: 17 -0.905488428735E+02 -0.10571E-02 -0.67595E-05 597 0.362E-02 0.235E-02
DAV: 18 -0.905493962271E+02 -0.55335E-03 -0.16299E-04 634 0.812E-02 0.108E-02
DAV: 19 -0.905495199317E+02 -0.12370E-03 -0.21563E-05 560 0.309E-02 0.989E-03
DAV: 20 -0.905495977915E+02 -0.77860E-04 -0.15374E-05 463 0.215E-02 0.407E-03
DAV: 21 -0.905496370751E+02 -0.39284E-04 -0.39418E-06 453 0.108E-02 0.248E-03
DAV: 22 -0.905496514678E+02 -0.14393E-04 -0.28193E-06 441 0.874E-03 0.171E-03
DAV: 23 -0.905496555465E+02 -0.40786E-05 -0.10678E-06 455 0.650E-03
1 F= -.90549656E+02 E0= -.90558075E+02 d E =0.252589E-01