./iterations/neb0_image08_iter99_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.791371625225E+03 0.79137E+03 -0.26039E+04 920 0.101E+03
DAV: 2 0.997509142382E+02 -0.69162E+03 -0.67580E+03 1112 0.281E+02
DAV: 3 -0.632584330583E+02 -0.16301E+03 -0.16249E+03 825 0.154E+02
DAV: 4 -0.680208796281E+02 -0.47624E+01 -0.47522E+01 872 0.288E+01
DAV: 5 -0.680866937543E+02 -0.65814E-01 -0.65596E-01 907 0.326E+00 0.198E+01
DAV: 6 -0.634860091816E+02 0.46007E+01 -0.18838E+01 865 0.220E+01 0.109E+01
DAV: 7 -0.633382571068E+02 0.14775E+00 -0.93130E-01 897 0.544E+00 0.398E+00
DAV: 8 -0.633347838266E+02 0.34733E-02 -0.87481E-02 896 0.196E+00 0.137E+00
DAV: 9 -0.633453773516E+02 -0.10594E-01 -0.17820E-02 918 0.937E-01 0.322E-01
DAV: 10 -0.633475104322E+02 -0.21331E-02 -0.52541E-03 928 0.549E-01 0.153E-01
DAV: 11 -0.633484043806E+02 -0.89395E-03 -0.64151E-04 854 0.187E-01 0.742E-02
DAV: 12 -0.633497924374E+02 -0.13881E-02 -0.36563E-04 859 0.135E-01 0.321E-02
DAV: 13 -0.633507693595E+02 -0.97692E-03 -0.13394E-04 827 0.957E-02 0.319E-02
DAV: 14 -0.633515322873E+02 -0.76293E-03 -0.13853E-04 873 0.806E-02 0.155E-02
DAV: 15 -0.633518447538E+02 -0.31247E-03 -0.32015E-05 747 0.381E-02 0.607E-03
DAV: 16 -0.633520316765E+02 -0.18692E-03 -0.15173E-05 593 0.212E-02 0.441E-03
DAV: 17 -0.633521541808E+02 -0.12250E-03 -0.75821E-06 638 0.136E-02 0.238E-03
DAV: 18 -0.633522225063E+02 -0.68325E-04 -0.41933E-06 617 0.725E-03 0.125E-03
DAV: 19 -0.633522611229E+02 -0.38617E-04 -0.24685E-06 609 0.729E-03 0.118E-03
DAV: 20 -0.633522677356E+02 -0.66127E-05 -0.55899E-07 496 0.332E-03
1 F= -.63352268E+02 E0= -.63356133E+02 d E =0.115964E-01