iterations/neb0_image01_iter259_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 0.362995311042E+03 0.36300E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.317044019494E+01 -0.35982E+03 -0.34616E+03 831 0.195E+02
DAV: 3 -0.955947412160E+02 -0.98765E+02 -0.98415E+02 664 0.116E+02
DAV: 4 -0.100256184489E+03 -0.46614E+01 -0.46492E+01 688 0.291E+01
DAV: 5 -0.100347580330E+03 -0.91396E-01 -0.91356E-01 744 0.367E+00 0.223E+01
DAV: 6 -0.917073048436E+02 0.86403E+01 -0.30941E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908940660111E+02 0.81324E+00 -0.18329E+00 712 0.639E+00 0.485E+00
DAV: 8 -0.905147616084E+02 0.37930E+00 -0.55701E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904311400812E+02 0.83622E-01 -0.13508E-01 728 0.165E+00 0.425E-01
DAV: 10 -0.904263281114E+02 0.48120E-02 -0.45977E-02 728 0.124E+00 0.318E-01
DAV: 11 -0.904302077252E+02 -0.38796E-02 -0.66156E-03 608 0.500E-01 0.135E-01
DAV: 12 -0.904338184679E+02 -0.36107E-02 -0.70574E-03 640 0.489E-01 0.132E-01
DAV: 13 -0.904363622055E+02 -0.25437E-02 -0.16205E-03 866 0.313E-01 0.740E-02
DAV: 14 -0.904393983677E+02 -0.30362E-02 -0.13064E-03 642 0.172E-01 0.594E-02
DAV: 15 -0.904413414803E+02 -0.19431E-02 -0.37460E-04 680 0.112E-01 0.482E-02
DAV: 16 -0.904427820815E+02 -0.14406E-02 -0.83657E-04 666 0.174E-01 0.341E-02
DAV: 17 -0.904435114071E+02 -0.72933E-03 -0.12161E-04 672 0.770E-02 0.278E-02
DAV: 18 -0.904437978909E+02 -0.28648E-03 -0.11641E-04 656 0.561E-02 0.971E-03
DAV: 19 -0.904439486760E+02 -0.15079E-03 -0.33905E-05 517 0.304E-02 0.688E-03
DAV: 20 -0.904439779349E+02 -0.29259E-04 -0.52655E-06 488 0.158E-02 0.813E-03
DAV: 21 -0.904440088431E+02 -0.30908E-04 -0.59707E-06 425 0.163E-02 0.441E-03
DAV: 22 -0.904440162720E+02 -0.74289E-05 -0.52668E-06 480 0.133E-02
1 F= -.90444016E+02 E0= -.90449487E+02 d E =0.164129E-01