./iterations/neb0_image08_iter68_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 0.376674474797E+03 0.37667E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.475180232212E+01 -0.37192E+03 -0.35738E+03 861 0.196E+02
DAV: 3 -0.966882371428E+02 -0.10144E+03 -0.10110E+03 688 0.117E+02
DAV: 4 -0.101133125249E+03 -0.44449E+01 -0.44346E+01 696 0.278E+01
DAV: 5 -0.101219770013E+03 -0.86645E-01 -0.86607E-01 736 0.350E+00 0.228E+01
DAV: 6 -0.925749679406E+02 0.86448E+01 -0.30814E+01 698 0.303E+01 0.119E+01
DAV: 7 -0.917024907366E+02 0.87248E+00 -0.16918E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913214418253E+02 0.38105E+00 -0.55516E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912369430844E+02 0.84499E-01 -0.13051E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912273553671E+02 0.95877E-02 -0.48623E-02 720 0.114E+00 0.312E-01
DAV: 11 -0.912323191807E+02 -0.49638E-02 -0.15496E-02 616 0.645E-01 0.168E-01
DAV: 12 -0.912350573880E+02 -0.27382E-02 -0.31769E-03 628 0.245E-01 0.134E-01
DAV: 13 -0.912391082564E+02 -0.40509E-02 -0.28171E-03 685 0.298E-01 0.536E-02
DAV: 14 -0.912419648542E+02 -0.28566E-02 -0.47575E-04 656 0.120E-01 0.351E-02
DAV: 15 -0.912442593397E+02 -0.22945E-02 -0.21955E-04 645 0.597E-02 0.293E-02
DAV: 16 -0.912451711650E+02 -0.91183E-03 -0.17954E-04 669 0.654E-02 0.130E-02
DAV: 17 -0.912456740746E+02 -0.50291E-03 -0.38590E-05 570 0.283E-02 0.136E-02
DAV: 18 -0.912458872773E+02 -0.21320E-03 -0.31455E-05 568 0.254E-02 0.564E-03
DAV: 19 -0.912459298083E+02 -0.42531E-04 -0.52722E-06 496 0.150E-02 0.217E-03
DAV: 20 -0.912459652902E+02 -0.35482E-04 -0.67507E-06 404 0.139E-02 0.343E-03
DAV: 21 -0.912459745152E+02 -0.92250E-05 -0.15752E-06 472 0.767E-03
1 F= -.91245975E+02 E0= -.91250853E+02 d E =0.146352E-01