./iterations/neb0_image09_iter18_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423542366840E+04 0.42354E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.426582830943E+03 -0.46620E+04 -0.45615E+04 3357 0.329E+02
DAV: 3 -0.942785881712E+03 -0.51620E+03 -0.51399E+03 3120 0.118E+02
DAV: 4 -0.955160621661E+03 -0.12375E+02 -0.12329E+02 3183 0.197E+01
DAV: 5 -0.955568238683E+03 -0.40762E+00 -0.40708E+00 3183 0.323E+00 0.812E+01
DAV: 6 -0.847621886132E+03 0.10795E+03 -0.47116E+02 3084 0.348E+01 0.376E+01
DAV: 7 -0.846996715473E+03 0.62517E+00 -0.14732E+01 3516 0.639E+00 0.148E+01
DAV: 8 -0.846708793786E+03 0.28792E+00 -0.22672E+00 3174 0.369E+00 0.613E+00
DAV: 9 -0.846605182598E+03 0.10361E+00 -0.87613E-01 3489 0.235E+00 0.155E+00
DAV: 10 -0.846576368674E+03 0.28814E-01 -0.17508E-01 3255 0.996E-01 0.110E+00
DAV: 11 -0.846553843506E+03 0.22525E-01 -0.86578E-02 3381 0.868E-01 0.758E-01
DAV: 12 -0.846542416328E+03 0.11427E-01 -0.36953E-02 3633 0.598E-01 0.815E-01
DAV: 13 -0.846522410122E+03 0.20006E-01 -0.38750E-02 4002 0.700E-01 0.652E-01
DAV: 14 -0.846518205785E+03 0.42043E-02 -0.24810E-02 3381 0.315E-01 0.296E-01
DAV: 15 -0.846515519569E+03 0.26862E-02 -0.68250E-03 3066 0.311E-01 0.335E-01
DAV: 16 -0.846515143929E+03 0.37564E-03 -0.11903E-02 3813 0.210E-01 0.236E-01
DAV: 17 -0.846514750909E+03 0.39302E-03 -0.76813E-03 3174 0.324E-01 0.222E-01
DAV: 18 -0.846516327688E+03 -0.15768E-02 -0.51440E-03 3165 0.181E-01 0.253E-01
DAV: 19 -0.846517177261E+03 -0.84957E-03 -0.45688E-03 3273 0.158E-01 0.137E-01
DAV: 20 -0.846520270313E+03 -0.30931E-02 -0.38175E-03 3219 0.138E-01 0.131E-01
DAV: 21 -0.846521720943E+03 -0.14506E-02 -0.14343E-03 3156 0.749E-02 0.642E-02
DAV: 22 -0.846524068228E+03 -0.23473E-02 -0.50676E-04 3084 0.498E-02 0.747E-02
DAV: 23 -0.846525445522E+03 -0.13773E-02 -0.44759E-04 3336 0.567E-02 0.314E-02
DAV: 24 -0.846526351398E+03 -0.90588E-03 -0.13911E-04 3057 0.268E-02 0.298E-02
DAV: 25 -0.846526798628E+03 -0.44723E-03 -0.65613E-05 2706 0.192E-02 0.162E-02
DAV: 26 -0.846527156532E+03 -0.35790E-03 -0.41881E-05 2202 0.204E-02 0.127E-02
DAV: 27 -0.846527365809E+03 -0.20928E-03 -0.19386E-05 2094 0.102E-02 0.776E-03
DAV: 28 -0.846527410911E+03 -0.45102E-04 -0.10283E-05 1995 0.779E-03 0.451E-03
DAV: 29 -0.846527425477E+03 -0.14566E-04 -0.31187E-06 2013 0.430E-03 0.298E-03
DAV: 30 -0.846527439674E+03 -0.14197E-04 -0.10427E-06 1959 0.225E-03 0.233E-03
DAV: 31 -0.846527448287E+03 -0.86133E-05 -0.90239E-07 1959 0.227E-03
1 F= -.84652745E+03 E0= -.84657657E+03 d E =0.147370E+00