iterations/neb0_image01_iter139_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 0.365822435546E+03 0.36582E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.327342627931E+01 -0.36255E+03 -0.34951E+03 836 0.195E+02
DAV: 3 -0.956386214378E+02 -0.98912E+02 -0.98565E+02 666 0.116E+02
DAV: 4 -0.100204192648E+03 -0.45656E+01 -0.45550E+01 696 0.287E+01
DAV: 5 -0.100295046580E+03 -0.90854E-01 -0.90805E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916751322580E+02 0.86199E+01 -0.31165E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908769656650E+02 0.79817E+00 -0.18230E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905006921473E+02 0.37627E+00 -0.55135E-01 704 0.426E+00 0.167E+00
DAV: 9 -0.904175206823E+02 0.83171E-01 -0.13514E-01 712 0.164E+00 0.424E-01
DAV: 10 -0.904126986649E+02 0.48220E-02 -0.46554E-02 712 0.124E+00 0.318E-01
DAV: 11 -0.904165941604E+02 -0.38955E-02 -0.69032E-03 608 0.514E-01 0.132E-01
DAV: 12 -0.904202307350E+02 -0.36366E-02 -0.71814E-03 632 0.485E-01 0.134E-01
DAV: 13 -0.904227185797E+02 -0.24878E-02 -0.16916E-03 848 0.323E-01 0.747E-02
DAV: 14 -0.904257042577E+02 -0.29857E-02 -0.14109E-03 628 0.183E-01 0.644E-02
DAV: 15 -0.904275571230E+02 -0.18529E-02 -0.35743E-04 680 0.113E-01 0.516E-02
DAV: 16 -0.904289275049E+02 -0.13704E-02 -0.97350E-04 661 0.188E-01 0.375E-02
DAV: 17 -0.904297154332E+02 -0.78793E-03 -0.13745E-04 669 0.810E-02 0.301E-02
DAV: 18 -0.904299859552E+02 -0.27052E-03 -0.10016E-04 664 0.517E-02 0.123E-02
DAV: 19 -0.904301558533E+02 -0.16990E-03 -0.46581E-05 647 0.345E-02 0.679E-03
DAV: 20 -0.904301878413E+02 -0.31988E-04 -0.43849E-06 496 0.160E-02 0.830E-03
DAV: 21 -0.904302260117E+02 -0.38170E-04 -0.65669E-06 409 0.150E-02 0.570E-03
DAV: 22 -0.904302390590E+02 -0.13047E-04 -0.54237E-06 477 0.154E-02 0.258E-03
DAV: 23 -0.904302408160E+02 -0.17570E-05 -0.25920E-06 528 0.958E-03
1 F= -.90430241E+02 E0= -.90435801E+02 d E =0.166798E-01