iterations/neb0_image06_iter58_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.423921150144E+04 0.42392E+04 -0.23862E+05 2892 0.117E+03 DAV: 2 -0.428372076230E+03 -0.46676E+04 -0.45706E+04 3375 0.329E+02 DAV: 3 -0.942443963860E+03 -0.51407E+03 -0.51184E+03 3120 0.117E+02 DAV: 4 -0.954702673097E+03 -0.12259E+02 -0.12213E+02 3201 0.196E+01 DAV: 5 -0.955098956946E+03 -0.39628E+00 -0.39575E+00 3183 0.318E+00 0.811E+01 DAV: 6 -0.847079828816E+03 0.10802E+03 -0.46998E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846609415132E+03 0.47041E+00 -0.14618E+01 3525 0.609E+00 0.146E+01 DAV: 8 -0.846254203766E+03 0.35521E+00 -0.96531E-01 3147 0.233E+00 0.597E+00 DAV: 9 -0.846184251493E+03 0.69952E-01 -0.42541E-01 3174 0.148E+00 0.867E-01 DAV: 10 -0.846180284845E+03 0.39666E-02 -0.70089E-02 3102 0.586E-01 0.575E-01 DAV: 11 -0.846174648818E+03 0.56360E-02 -0.68124E-03 3138 0.227E-01 0.320E-01 DAV: 12 -0.846169486133E+03 0.51627E-02 -0.77764E-03 3102 0.273E-01 0.125E-01 DAV: 13 -0.846169454942E+03 0.31190E-04 -0.48795E-03 3066 0.232E-01 0.147E-01 DAV: 14 -0.846172606564E+03 -0.31516E-02 -0.33390E-03 3066 0.157E-01 0.102E-01 DAV: 15 -0.846177873633E+03 -0.52671E-02 -0.14656E-03 3102 0.122E-01 0.411E-02 DAV: 16 -0.846180116583E+03 -0.22430E-02 -0.60161E-04 3084 0.591E-02 0.379E-02 DAV: 17 -0.846181073010E+03 -0.95643E-03 -0.14407E-04 3138 0.260E-02 0.239E-02 DAV: 18 -0.846182170382E+03 -0.10974E-02 -0.46046E-05 2652 0.169E-02 0.107E-02 DAV: 19 -0.846182828032E+03 -0.65765E-03 -0.32748E-05 2508 0.180E-02 0.891E-03 DAV: 20 -0.846182966529E+03 -0.13850E-03 -0.28304E-05 2589 0.130E-02 0.690E-03 DAV: 21 -0.846183022110E+03 -0.55581E-04 -0.48133E-06 1977 0.656E-03 0.379E-03 DAV: 22 -0.846183077342E+03 -0.55232E-04 -0.40703E-06 1950 0.549E-03 0.218E-03 DAV: 23 -0.846183089212E+03 -0.11870E-04 -0.23036E-06 1995 0.377E-03 0.227E-03 DAV: 24 -0.846183092514E+03 -0.33018E-05 -0.11761E-06 1977 0.301E-03 1 F= -.84618309E+03 E0= -.84618696E+03 d E =0.116072E-01