iterations/neb0_image08_iter213_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 0.373313200514E+03 0.37331E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.350310952443E+01 -0.36981E+03 -0.35738E+03 869 0.196E+02
DAV: 3 -0.966360539498E+02 -0.10014E+03 -0.99826E+02 664 0.116E+02
DAV: 4 -0.101229437727E+03 -0.45934E+01 -0.45802E+01 712 0.288E+01
DAV: 5 -0.101319765241E+03 -0.90328E-01 -0.90273E-01 736 0.366E+00 0.227E+01
DAV: 6 -0.926474963726E+02 0.86723E+01 -0.31054E+01 725 0.301E+01 0.118E+01
DAV: 7 -0.917890761836E+02 0.85842E+00 -0.17371E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914150074394E+02 0.37407E+00 -0.53982E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913347929058E+02 0.80215E-01 -0.13204E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913269963078E+02 0.77966E-02 -0.45630E-02 752 0.110E+00 0.304E-01
DAV: 11 -0.913319279246E+02 -0.49316E-02 -0.14486E-02 616 0.628E-01 0.152E-01
DAV: 12 -0.913347242856E+02 -0.27964E-02 -0.27796E-03 628 0.237E-01 0.112E-01
DAV: 13 -0.913383110639E+02 -0.35868E-02 -0.23495E-03 642 0.253E-01 0.498E-02
DAV: 14 -0.913415287584E+02 -0.32177E-02 -0.79263E-04 653 0.173E-01 0.292E-02
DAV: 15 -0.913427771563E+02 -0.12484E-02 -0.18511E-04 680 0.782E-02 0.253E-02
DAV: 16 -0.913437180311E+02 -0.94087E-03 -0.16493E-04 653 0.782E-02 0.113E-02
DAV: 17 -0.913443364670E+02 -0.61844E-03 -0.56410E-05 650 0.350E-02 0.134E-02
DAV: 18 -0.913445364262E+02 -0.19996E-03 -0.25603E-05 568 0.299E-02 0.656E-03
DAV: 19 -0.913446626236E+02 -0.12620E-03 -0.22280E-05 465 0.220E-02 0.466E-03
DAV: 20 -0.913446762270E+02 -0.13603E-04 -0.22556E-06 520 0.916E-03 0.305E-03
DAV: 21 -0.913446918859E+02 -0.15659E-04 -0.46068E-06 400 0.137E-02 0.197E-03
DAV: 22 -0.913446965738E+02 -0.46879E-05 -0.10732E-06 453 0.613E-03
1 F= -.91344697E+02 E0= -.91349587E+02 d E =0.146726E-01