iterations/neb0_image06_iter31_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 0.423851261464E+04 0.42385E+04 -0.23860E+05 2892 0.117E+03 DAV: 2 -0.426368435373E+03 -0.46649E+04 -0.45683E+04 3378 0.329E+02 DAV: 3 -0.942092928457E+03 -0.51572E+03 -0.51347E+03 3120 0.118E+02 DAV: 4 -0.954418623192E+03 -0.12326E+02 -0.12280E+02 3183 0.196E+01 DAV: 5 -0.954825028252E+03 -0.40641E+00 -0.40587E+00 3192 0.322E+00 0.810E+01 DAV: 6 -0.846720840658E+03 0.10810E+03 -0.47033E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846271523497E+03 0.44932E+00 -0.14775E+01 3543 0.611E+00 0.146E+01 DAV: 8 -0.845912679465E+03 0.35884E+00 -0.98623E-01 3156 0.236E+00 0.599E+00 DAV: 9 -0.845839246216E+03 0.73433E-01 -0.43226E-01 3183 0.149E+00 0.868E-01 DAV: 10 -0.845834340777E+03 0.49054E-02 -0.72331E-02 3129 0.591E-01 0.579E-01 DAV: 11 -0.845828313084E+03 0.60277E-02 -0.68333E-03 3156 0.230E-01 0.327E-01 DAV: 12 -0.845822276642E+03 0.60364E-02 -0.82440E-03 3084 0.284E-01 0.129E-01 DAV: 13 -0.845821956522E+03 0.32012E-03 -0.51608E-03 3093 0.238E-01 0.149E-01 DAV: 14 -0.845825036935E+03 -0.30804E-02 -0.34862E-03 3075 0.160E-01 0.107E-01 DAV: 15 -0.845830432796E+03 -0.53959E-02 -0.14314E-03 3129 0.123E-01 0.400E-02 DAV: 16 -0.845832912727E+03 -0.24799E-02 -0.66940E-04 3102 0.596E-02 0.405E-02 DAV: 17 -0.845833866860E+03 -0.95413E-03 -0.13300E-04 3138 0.261E-02 0.241E-02 DAV: 18 -0.845835011156E+03 -0.11443E-02 -0.55797E-05 2868 0.174E-02 0.118E-02 DAV: 19 -0.845835657316E+03 -0.64616E-03 -0.29934E-05 2454 0.177E-02 0.103E-02 DAV: 20 -0.845835820696E+03 -0.16338E-03 -0.28160E-05 2508 0.136E-02 0.694E-03 DAV: 21 -0.845835897119E+03 -0.76424E-04 -0.55992E-06 1986 0.684E-03 0.377E-03 DAV: 22 -0.845835947295E+03 -0.50175E-04 -0.50581E-06 1959 0.644E-03 0.281E-03 DAV: 23 -0.845835957899E+03 -0.10605E-04 -0.26060E-06 2013 0.404E-03 0.323E-03 DAV: 24 -0.845835961883E+03 -0.39837E-05 -0.12148E-06 1959 0.303E-03 1 F= -.84583596E+03 E0= -.84583983E+03 d E =0.115974E-01