./iterations/neb0_image08_iter28_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 0.376691163238E+03 0.37669E+03 -0.14291E+04 624 0.799E+02
DAV: 2 0.368351162007E+01 -0.37301E+03 -0.35930E+03 869 0.196E+02
DAV: 3 -0.967018807776E+02 -0.10039E+03 -0.10006E+03 672 0.117E+02
DAV: 4 -0.101126953269E+03 -0.44251E+01 -0.44143E+01 704 0.282E+01
DAV: 5 -0.101211267837E+03 -0.84315E-01 -0.84279E-01 736 0.356E+00 0.229E+01
DAV: 6 -0.924487803036E+02 0.87625E+01 -0.30741E+01 680 0.302E+01 0.120E+01
DAV: 7 -0.915378261252E+02 0.91095E+00 -0.17178E+00 720 0.619E+00 0.481E+00
DAV: 8 -0.911556667019E+02 0.38216E+00 -0.55471E-01 712 0.400E+00 0.165E+00
DAV: 9 -0.910710023023E+02 0.84664E-01 -0.13192E-01 712 0.155E+00 0.435E-01
DAV: 10 -0.910611355630E+02 0.98667E-02 -0.44516E-02 760 0.110E+00 0.299E-01
DAV: 11 -0.910658929453E+02 -0.47574E-02 -0.13781E-02 610 0.616E-01 0.165E-01
DAV: 12 -0.910683549534E+02 -0.24620E-02 -0.23746E-03 640 0.216E-01 0.123E-01
DAV: 13 -0.910729594348E+02 -0.46045E-02 -0.36119E-03 647 0.309E-01 0.678E-02
DAV: 14 -0.910755570327E+02 -0.25976E-02 -0.73428E-04 688 0.161E-01 0.249E-02
DAV: 15 -0.910778382045E+02 -0.22812E-02 -0.28002E-04 637 0.694E-02 0.179E-02
DAV: 16 -0.910787205841E+02 -0.88238E-03 -0.63907E-05 624 0.451E-02 0.103E-02
DAV: 17 -0.910794074043E+02 -0.68682E-03 -0.99723E-05 628 0.439E-02 0.100E-02
DAV: 18 -0.910794963565E+02 -0.88952E-04 -0.12188E-05 552 0.346E-02 0.478E-03
DAV: 19 -0.910795911048E+02 -0.94748E-04 -0.25408E-05 451 0.237E-02 0.622E-03
DAV: 20 -0.910796032870E+02 -0.12182E-04 -0.19410E-06 520 0.116E-02 0.407E-03
DAV: 21 -0.910796148837E+02 -0.11597E-04 -0.48915E-06 404 0.143E-02 0.168E-03
DAV: 22 -0.910796216466E+02 -0.67629E-05 -0.13592E-06 438 0.613E-03
1 F= -.91079622E+02 E0= -.91084230E+02 d E =0.138256E-01