./iterations/neb0_image08_iter180_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 0.374092802570E+03 0.37409E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.355002733920E+01 -0.37054E+03 -0.35836E+03 863 0.196E+02
DAV: 3 -0.967610979137E+02 -0.10031E+03 -0.10001E+03 677 0.117E+02
DAV: 4 -0.101261390451E+03 -0.45003E+01 -0.44875E+01 720 0.283E+01
DAV: 5 -0.101349298652E+03 -0.87908E-01 -0.87853E-01 712 0.358E+00 0.227E+01
DAV: 6 -0.926642990635E+02 0.86850E+01 -0.30929E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917894082756E+02 0.87489E+00 -0.17235E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914131670706E+02 0.37624E+00 -0.54866E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913337769436E+02 0.79390E-01 -0.12988E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913257495698E+02 0.80274E-02 -0.44431E-02 752 0.110E+00 0.301E-01
DAV: 11 -0.913305091674E+02 -0.47596E-02 -0.13159E-02 608 0.597E-01 0.144E-01
DAV: 12 -0.913334423283E+02 -0.29332E-02 -0.27915E-03 633 0.248E-01 0.102E-01
DAV: 13 -0.913368067622E+02 -0.33644E-02 -0.14753E-03 634 0.198E-01 0.442E-02
DAV: 14 -0.913403043578E+02 -0.34976E-02 -0.88876E-04 682 0.197E-01 0.397E-02
DAV: 15 -0.913412172763E+02 -0.91292E-03 -0.22677E-04 688 0.991E-02 0.331E-02
DAV: 16 -0.913422855318E+02 -0.10683E-02 -0.23664E-04 677 0.868E-02 0.119E-02
DAV: 17 -0.913430456674E+02 -0.76014E-03 -0.70718E-05 653 0.380E-02 0.135E-02
DAV: 18 -0.913433365891E+02 -0.29092E-03 -0.41453E-05 600 0.324E-02 0.816E-03
DAV: 19 -0.913434132701E+02 -0.76681E-04 -0.17405E-05 488 0.233E-02 0.571E-03
DAV: 20 -0.913434452122E+02 -0.31942E-04 -0.53334E-06 447 0.117E-02 0.438E-03
DAV: 21 -0.913434534945E+02 -0.82823E-05 -0.17608E-06 496 0.900E-03
1 F= -.91343453E+02 E0= -.91348506E+02 d E =0.151567E-01