./iterations/neb0_image08_iter255_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 0.374373664713E+03 0.37437E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.396440495489E+01 -0.37041E+03 -0.35804E+03 869 0.196E+02
DAV: 3 -0.965535342772E+02 -0.10052E+03 -0.10019E+03 653 0.117E+02
DAV: 4 -0.101260024632E+03 -0.47065E+01 -0.46945E+01 720 0.293E+01
DAV: 5 -0.101352619183E+03 -0.92595E-01 -0.92544E-01 728 0.371E+00 0.228E+01
DAV: 6 -0.926556522361E+02 0.86970E+01 -0.31000E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917923627897E+02 0.86329E+00 -0.17247E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914186672966E+02 0.37370E+00 -0.53760E-01 728 0.394E+00 0.162E+00
DAV: 9 -0.913377150964E+02 0.80952E-01 -0.13131E-01 736 0.154E+00 0.419E-01
DAV: 10 -0.913293969914E+02 0.83181E-02 -0.44681E-02 736 0.107E+00 0.302E-01
DAV: 11 -0.913342333393E+02 -0.48363E-02 -0.13948E-02 608 0.612E-01 0.152E-01
DAV: 12 -0.913371180735E+02 -0.28847E-02 -0.27254E-03 626 0.224E-01 0.115E-01
DAV: 13 -0.913409452022E+02 -0.38271E-02 -0.29087E-03 642 0.282E-01 0.591E-02
DAV: 14 -0.913440513238E+02 -0.31061E-02 -0.83489E-04 664 0.168E-01 0.233E-02
DAV: 15 -0.913455840188E+02 -0.15327E-02 -0.16559E-04 664 0.626E-02 0.169E-02
DAV: 16 -0.913465766249E+02 -0.99261E-03 -0.11605E-04 645 0.605E-02 0.964E-03
DAV: 17 -0.913470281951E+02 -0.45157E-03 -0.44605E-05 672 0.274E-02 0.988E-03
DAV: 18 -0.913471446513E+02 -0.11646E-03 -0.98712E-06 488 0.213E-02 0.445E-03
DAV: 19 -0.913472564242E+02 -0.11177E-03 -0.23533E-05 519 0.225E-02 0.518E-03
DAV: 20 -0.913472647136E+02 -0.82894E-05 -0.17537E-06 528 0.121E-02
1 F= -.91347265E+02 E0= -.91352283E+02 d E =0.150544E-01