iterations/neb0_image02_iter5_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 0.422666758755E+04 0.42267E+04 -0.23858E+05 2892 0.117E+03 DAV: 2 -0.431022006716E+03 -0.46577E+04 -0.45574E+04 3375 0.329E+02 DAV: 3 -0.942464067127E+03 -0.51144E+03 -0.50923E+03 3120 0.117E+02 DAV: 4 -0.954659355110E+03 -0.12195E+02 -0.12151E+02 3174 0.195E+01 DAV: 5 -0.955061971875E+03 -0.40262E+00 -0.40211E+00 3219 0.320E+00 0.812E+01 DAV: 6 -0.846889901956E+03 0.10817E+03 -0.47205E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.846413269748E+03 0.47663E+00 -0.14331E+01 3561 0.605E+00 0.146E+01 DAV: 8 -0.846076366800E+03 0.33690E+00 -0.95714E-01 3147 0.238E+00 0.593E+00 DAV: 9 -0.846031555326E+03 0.44811E-01 -0.42161E-01 3192 0.152E+00 0.872E-01 DAV: 10 -0.846036767713E+03 -0.52124E-02 -0.68417E-02 3129 0.587E-01 0.591E-01 DAV: 11 -0.846035785708E+03 0.98200E-03 -0.69374E-03 3120 0.212E-01 0.323E-01 DAV: 12 -0.846036198053E+03 -0.41234E-03 -0.69791E-03 3138 0.248E-01 0.116E-01 DAV: 13 -0.846039063589E+03 -0.28655E-02 -0.45388E-03 3156 0.218E-01 0.132E-01 DAV: 14 -0.846043049872E+03 -0.39863E-02 -0.28884E-03 3102 0.139E-01 0.894E-02 DAV: 15 -0.846047794523E+03 -0.47447E-02 -0.13262E-03 3084 0.951E-02 0.403E-02 DAV: 16 -0.846049945086E+03 -0.21506E-02 -0.39183E-04 3138 0.483E-02 0.381E-02 DAV: 17 -0.846050946498E+03 -0.10014E-02 -0.25711E-04 3111 0.372E-02 0.270E-02 DAV: 18 -0.846051649216E+03 -0.70272E-03 -0.38792E-05 2679 0.215E-02 0.140E-02 DAV: 19 -0.846052220831E+03 -0.57162E-03 -0.42329E-05 2751 0.214E-02 0.754E-03 DAV: 20 -0.846052304341E+03 -0.83510E-04 -0.29092E-05 2670 0.130E-02 0.636E-03 DAV: 21 -0.846052350819E+03 -0.46478E-04 -0.30927E-06 1977 0.399E-03 0.513E-03 DAV: 22 -0.846052380680E+03 -0.29860E-04 -0.30599E-06 2022 0.365E-03 0.196E-03 DAV: 23 -0.846052392543E+03 -0.11864E-04 -0.14965E-06 2031 0.329E-03 0.117E-03 DAV: 24 -0.846052395086E+03 -0.25431E-05 -0.76751E-07 2004 0.206E-03 1 F= -.84605240E+03 E0= -.84605626E+03 d E =0.115959E-01