iterations/neb0_image07_iter18_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 0.422999010685E+04 0.42300E+04 -0.23853E+05 2892 0.117E+03 DAV: 2 -0.425020753728E+03 -0.46550E+04 -0.45577E+04 3348 0.329E+02 DAV: 3 -0.941733487659E+03 -0.51671E+03 -0.51440E+03 3120 0.118E+02 DAV: 4 -0.954163736123E+03 -0.12430E+02 -0.12382E+02 3192 0.196E+01 DAV: 5 -0.954573261550E+03 -0.40953E+00 -0.40896E+00 3183 0.322E+00 0.809E+01 DAV: 6 -0.846691922726E+03 0.10788E+03 -0.47054E+02 3057 0.347E+01 0.374E+01 DAV: 7 -0.846222206197E+03 0.46972E+00 -0.14463E+01 3552 0.607E+00 0.146E+01 DAV: 8 -0.845854767019E+03 0.36744E+00 -0.94979E-01 3165 0.234E+00 0.599E+00 DAV: 9 -0.845773622773E+03 0.81144E-01 -0.42990E-01 3174 0.151E+00 0.871E-01 DAV: 10 -0.845766311329E+03 0.73114E-02 -0.70626E-02 3102 0.601E-01 0.569E-01 DAV: 11 -0.845758367759E+03 0.79436E-02 -0.74877E-03 3138 0.242E-01 0.309E-01 DAV: 12 -0.845751013141E+03 0.73546E-02 -0.74916E-03 3129 0.284E-01 0.129E-01 DAV: 13 -0.845750199841E+03 0.81330E-03 -0.57015E-03 3066 0.269E-01 0.151E-01 DAV: 14 -0.845753921646E+03 -0.37218E-02 -0.42741E-03 3066 0.178E-01 0.103E-01 DAV: 15 -0.845759033577E+03 -0.51119E-02 -0.17050E-03 3093 0.117E-01 0.475E-02 DAV: 16 -0.845761444246E+03 -0.24107E-02 -0.46036E-04 3120 0.651E-02 0.379E-02 DAV: 17 -0.845762625622E+03 -0.11814E-02 -0.31222E-04 3111 0.370E-02 0.291E-02 DAV: 18 -0.845763425621E+03 -0.80000E-03 -0.30548E-05 2580 0.175E-02 0.141E-02 DAV: 19 -0.845764294630E+03 -0.86901E-03 -0.59945E-05 2787 0.239E-02 0.780E-03 DAV: 20 -0.845764412624E+03 -0.11799E-03 -0.29102E-05 2571 0.129E-02 0.678E-03 DAV: 21 -0.845764465344E+03 -0.52720E-04 -0.28905E-06 1995 0.378E-03 0.550E-03 DAV: 22 -0.845764512271E+03 -0.46927E-04 -0.33704E-06 1968 0.384E-03 0.177E-03 DAV: 23 -0.845764534971E+03 -0.22700E-04 -0.19071E-06 1977 0.370E-03 0.123E-03 DAV: 24 -0.845764538179E+03 -0.32077E-05 -0.91439E-07 2013 0.243E-03 1 F= -.84576454E+03 E0= -.84576860E+03 d E =0.122001E-01