./iterations/neb0_image04_iter29_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 0.367975907403E+03 0.36798E+03 -0.14297E+04 632 0.799E+02
DAV: 2 0.487618966928E+01 -0.36310E+03 -0.35133E+03 861 0.194E+02
DAV: 3 -0.946010952351E+02 -0.99477E+02 -0.99100E+02 680 0.116E+02
DAV: 4 -0.990986084695E+02 -0.44975E+01 -0.44860E+01 728 0.282E+01
DAV: 5 -0.991866286888E+02 -0.88020E-01 -0.87984E-01 728 0.356E+00 0.220E+01
DAV: 6 -0.907003681532E+02 0.84863E+01 -0.30015E+01 677 0.296E+01 0.114E+01
DAV: 7 -0.898391272192E+02 0.86124E+00 -0.16694E+00 728 0.640E+00 0.480E+00
DAV: 8 -0.894334487702E+02 0.40568E+00 -0.63456E-01 704 0.452E+00 0.161E+00
DAV: 9 -0.893438135671E+02 0.89635E-01 -0.12926E-01 728 0.165E+00 0.450E-01
DAV: 10 -0.893338581128E+02 0.99555E-02 -0.42455E-02 725 0.107E+00 0.326E-01
DAV: 11 -0.893379251298E+02 -0.40670E-02 -0.11839E-02 599 0.645E-01 0.144E-01
DAV: 12 -0.893393822430E+02 -0.14571E-02 -0.29605E-03 664 0.275E-01 0.124E-01
DAV: 13 -0.893444006312E+02 -0.50184E-02 -0.44246E-03 748 0.442E-01 0.937E-02
DAV: 14 -0.893467273347E+02 -0.23267E-02 -0.89444E-04 738 0.185E-01 0.639E-02
DAV: 15 -0.893492052203E+02 -0.24779E-02 -0.13547E-03 649 0.212E-01 0.409E-02
DAV: 16 -0.893505092737E+02 -0.13041E-02 -0.18255E-04 754 0.909E-02 0.250E-02
DAV: 17 -0.893515863217E+02 -0.10770E-02 -0.17454E-04 658 0.714E-02 0.895E-03
DAV: 18 -0.893521338474E+02 -0.54753E-03 -0.64334E-05 661 0.350E-02 0.947E-03
DAV: 19 -0.893522738473E+02 -0.14000E-03 -0.91913E-06 504 0.245E-02 0.442E-03
DAV: 20 -0.893523967169E+02 -0.12287E-03 -0.33457E-05 534 0.274E-02 0.713E-03
DAV: 21 -0.893524060679E+02 -0.93509E-05 -0.27507E-06 517 0.165E-02
1 F= -.89352406E+02 E0= -.89357238E+02 d E =0.144972E-01