./iterations/neb0_image09_iter171_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 0.374064245585E+03 0.37406E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.326024686287E+01 -0.37080E+03 -0.35805E+03 869 0.196E+02
DAV: 3 -0.966163603967E+02 -0.99877E+02 -0.99545E+02 653 0.117E+02
DAV: 4 -0.101241109457E+03 -0.46247E+01 -0.46140E+01 720 0.291E+01
DAV: 5 -0.101332657159E+03 -0.91548E-01 -0.91507E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.926730645220E+02 0.86596E+01 -0.30926E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918077253085E+02 0.86534E+00 -0.17214E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914327532245E+02 0.37497E+00 -0.54233E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913513574544E+02 0.81396E-01 -0.13128E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913430959644E+02 0.82615E-02 -0.44021E-02 776 0.110E+00 0.299E-01
DAV: 11 -0.913473707590E+02 -0.42748E-02 -0.11572E-02 616 0.561E-01 0.130E-01
DAV: 12 -0.913505825257E+02 -0.32118E-02 -0.28384E-03 626 0.248E-01 0.107E-01
DAV: 13 -0.913541239433E+02 -0.35414E-02 -0.11463E-03 669 0.185E-01 0.453E-02
DAV: 14 -0.913574670541E+02 -0.33431E-02 -0.77538E-04 656 0.155E-01 0.380E-02
DAV: 15 -0.913587200221E+02 -0.12530E-02 -0.15086E-04 752 0.880E-02 0.347E-02
DAV: 16 -0.913601531516E+02 -0.14331E-02 -0.32269E-04 637 0.892E-02 0.161E-02
DAV: 17 -0.913605858240E+02 -0.43267E-03 -0.58819E-05 688 0.510E-02 0.136E-02
DAV: 18 -0.913608452938E+02 -0.25947E-03 -0.43621E-05 568 0.309E-02 0.842E-03
DAV: 19 -0.913609083768E+02 -0.63083E-04 -0.78221E-06 504 0.144E-02 0.471E-03
DAV: 20 -0.913609407116E+02 -0.32335E-04 -0.54404E-06 429 0.151E-02 0.193E-03
DAV: 21 -0.913609596921E+02 -0.18980E-04 -0.43908E-06 445 0.104E-02 0.262E-03
DAV: 22 -0.913609628198E+02 -0.31277E-05 -0.72991E-07 496 0.440E-03
1 F= -.91360963E+02 E0= -.91365888E+02 d E =0.147758E-01