iterations/neb0_image07_iter111_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 0.377971737971E+03 0.37797E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.345482649474E+01 -0.37452E+03 -0.36242E+03 877 0.196E+02
DAV: 3 -0.964416869151E+02 -0.99897E+02 -0.99558E+02 656 0.117E+02
DAV: 4 -0.101042554379E+03 -0.46009E+01 -0.45897E+01 696 0.290E+01
DAV: 5 -0.101134471134E+03 -0.91917E-01 -0.91879E-01 728 0.369E+00 0.228E+01
DAV: 6 -0.924531986794E+02 0.86813E+01 -0.30691E+01 693 0.303E+01 0.120E+01
DAV: 7 -0.915718177621E+02 0.88138E+00 -0.16881E+00 736 0.614E+00 0.482E+00
DAV: 8 -0.911889588304E+02 0.38286E+00 -0.55410E-01 704 0.401E+00 0.164E+00
DAV: 9 -0.911047717717E+02 0.84187E-01 -0.13369E-01 720 0.156E+00 0.426E-01
DAV: 10 -0.910955527393E+02 0.92190E-02 -0.47848E-02 749 0.113E+00 0.311E-01
DAV: 11 -0.910999580040E+02 -0.44053E-02 -0.12328E-02 616 0.585E-01 0.132E-01
DAV: 12 -0.911032284323E+02 -0.32704E-02 -0.35807E-03 616 0.274E-01 0.144E-01
DAV: 13 -0.911070763595E+02 -0.38479E-02 -0.25687E-03 725 0.313E-01 0.548E-02
DAV: 14 -0.911096678388E+02 -0.25915E-02 -0.60984E-04 653 0.114E-01 0.580E-02
DAV: 15 -0.911122705199E+02 -0.26027E-02 -0.32044E-04 637 0.911E-02 0.330E-02
DAV: 16 -0.911132329732E+02 -0.96245E-03 -0.38292E-04 688 0.972E-02 0.302E-02
DAV: 17 -0.911137054971E+02 -0.47252E-03 -0.13088E-04 640 0.740E-02 0.102E-02
DAV: 18 -0.911138674179E+02 -0.16192E-03 -0.23875E-05 568 0.274E-02 0.738E-03
DAV: 19 -0.911139502797E+02 -0.82862E-04 -0.17688E-05 488 0.238E-02 0.265E-03
DAV: 20 -0.911139877883E+02 -0.37509E-04 -0.39438E-06 453 0.104E-02 0.206E-03
DAV: 21 -0.911139988781E+02 -0.11090E-04 -0.17574E-06 472 0.599E-03 0.112E-03
DAV: 22 -0.911140057048E+02 -0.68267E-05 -0.81876E-07 411 0.315E-03
1 F= -.91114006E+02 E0= -.91119036E+02 d E =0.150898E-01