iterations/neb0_image01_iter191_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 0.365616527814E+03 0.36562E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.317818829336E+01 -0.36244E+03 -0.34945E+03 842 0.196E+02
DAV: 3 -0.955975786319E+02 -0.98776E+02 -0.98426E+02 669 0.116E+02
DAV: 4 -0.100223347708E+03 -0.46258E+01 -0.46150E+01 680 0.287E+01
DAV: 5 -0.100316585198E+03 -0.93237E-01 -0.93186E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916877420093E+02 0.86288E+01 -0.30968E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908841672650E+02 0.80357E+00 -0.18311E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905089936609E+02 0.37517E+00 -0.55299E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904268182975E+02 0.82175E-01 -0.13216E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904222702450E+02 0.45481E-02 -0.47053E-02 720 0.124E+00 0.322E-01
DAV: 11 -0.904264482682E+02 -0.41780E-02 -0.80879E-03 608 0.585E-01 0.118E-01
DAV: 12 -0.904297421525E+02 -0.32939E-02 -0.63233E-03 626 0.436E-01 0.131E-01
DAV: 13 -0.904321980144E+02 -0.24559E-02 -0.16092E-03 861 0.307E-01 0.752E-02
DAV: 14 -0.904354272106E+02 -0.32292E-02 -0.15015E-03 642 0.197E-01 0.706E-02
DAV: 15 -0.904369513877E+02 -0.15242E-02 -0.28571E-04 720 0.114E-01 0.554E-02
DAV: 16 -0.904383369581E+02 -0.13856E-02 -0.11496E-03 661 0.209E-01 0.401E-02
DAV: 17 -0.904391423948E+02 -0.80544E-03 -0.14908E-04 664 0.844E-02 0.344E-02
DAV: 18 -0.904394551649E+02 -0.31277E-03 -0.74758E-05 688 0.427E-02 0.207E-02
DAV: 19 -0.904396527920E+02 -0.19763E-03 -0.11591E-04 631 0.622E-02 0.102E-02
DAV: 20 -0.904396792271E+02 -0.26435E-04 -0.12489E-05 512 0.230E-02 0.104E-02
DAV: 21 -0.904397162117E+02 -0.36985E-04 -0.79656E-06 404 0.163E-02 0.767E-03
DAV: 22 -0.904397308821E+02 -0.14670E-04 -0.56227E-06 480 0.191E-02 0.336E-03
DAV: 23 -0.904397350079E+02 -0.41258E-05 -0.73494E-06 480 0.153E-02
1 F= -.90439735E+02 E0= -.90445501E+02 d E =0.172991E-01