iterations/neb0_image01_iter253_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 0.362865380049E+03 0.36287E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.315582919812E+01 -0.35971E+03 -0.34604E+03 831 0.195E+02
DAV: 3 -0.955866163430E+02 -0.98742E+02 -0.98393E+02 664 0.116E+02
DAV: 4 -0.100248596772E+03 -0.46620E+01 -0.46497E+01 696 0.291E+01
DAV: 5 -0.100339726485E+03 -0.91130E-01 -0.91092E-01 728 0.366E+00 0.222E+01
DAV: 6 -0.917033794880E+02 0.86363E+01 -0.30972E+01 677 0.300E+01 0.117E+01
DAV: 7 -0.908934220941E+02 0.80996E+00 -0.18315E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905149875334E+02 0.37843E+00 -0.55375E-01 704 0.430E+00 0.168E+00
DAV: 9 -0.904312249546E+02 0.83763E-01 -0.13496E-01 720 0.165E+00 0.425E-01
DAV: 10 -0.904264860419E+02 0.47389E-02 -0.46485E-02 728 0.124E+00 0.319E-01
DAV: 11 -0.904303612225E+02 -0.38752E-02 -0.67658E-03 608 0.512E-01 0.133E-01
DAV: 12 -0.904339946830E+02 -0.36335E-02 -0.72828E-03 645 0.491E-01 0.135E-01
DAV: 13 -0.904364912749E+02 -0.24966E-02 -0.17696E-03 877 0.325E-01 0.745E-02
DAV: 14 -0.904395380240E+02 -0.30467E-02 -0.13189E-03 642 0.174E-01 0.621E-02
DAV: 15 -0.904414313283E+02 -0.18933E-02 -0.36245E-04 680 0.110E-01 0.500E-02
DAV: 16 -0.904428848102E+02 -0.14535E-02 -0.90379E-04 666 0.181E-01 0.352E-02
DAV: 17 -0.904436223381E+02 -0.73753E-03 -0.12426E-04 672 0.762E-02 0.295E-02
DAV: 18 -0.904439229343E+02 -0.30060E-03 -0.12222E-04 653 0.581E-02 0.997E-03
DAV: 19 -0.904440635322E+02 -0.14060E-03 -0.35753E-05 597 0.309E-02 0.785E-03
DAV: 20 -0.904440989996E+02 -0.35467E-04 -0.47611E-06 472 0.148E-02 0.895E-03
DAV: 21 -0.904441314587E+02 -0.32459E-04 -0.73374E-06 425 0.197E-02 0.431E-03
DAV: 22 -0.904441374440E+02 -0.59853E-05 -0.69193E-06 496 0.142E-02
1 F= -.90444137E+02 E0= -.90449863E+02 d E =0.171756E-01