iterations/neb0_image04_iter9_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 0.422251769960E+04 0.42225E+04 -0.23846E+05 2892 0.117E+03 DAV: 2 -0.427073102882E+03 -0.46496E+04 -0.45537E+04 3366 0.329E+02 DAV: 3 -0.939730144795E+03 -0.51266E+03 -0.51033E+03 3120 0.117E+02 DAV: 4 -0.952045804192E+03 -0.12316E+02 -0.12268E+02 3192 0.196E+01 DAV: 5 -0.952453436533E+03 -0.40763E+00 -0.40712E+00 3210 0.321E+00 0.810E+01 DAV: 6 -0.844337156338E+03 0.10812E+03 -0.47227E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.843878134503E+03 0.45902E+00 -0.14288E+01 3516 0.612E+00 0.146E+01 DAV: 8 -0.843557055971E+03 0.32108E+00 -0.93957E-01 3138 0.234E+00 0.597E+00 DAV: 9 -0.843522895463E+03 0.34161E-01 -0.41058E-01 3192 0.151E+00 0.870E-01 DAV: 10 -0.843527800207E+03 -0.49047E-02 -0.65814E-02 3102 0.580E-01 0.585E-01 DAV: 11 -0.843526660645E+03 0.11396E-02 -0.70948E-03 3165 0.211E-01 0.321E-01 DAV: 12 -0.843526210892E+03 0.44975E-03 -0.62552E-03 3066 0.231E-01 0.115E-01 DAV: 13 -0.843528025363E+03 -0.18145E-02 -0.39244E-03 3165 0.204E-01 0.129E-01 DAV: 14 -0.843531540012E+03 -0.35146E-02 -0.26685E-03 3066 0.139E-01 0.865E-02 DAV: 15 -0.843536138908E+03 -0.45989E-02 -0.11295E-03 3048 0.902E-02 0.362E-02 DAV: 16 -0.843538159433E+03 -0.20205E-02 -0.40815E-04 3102 0.493E-02 0.337E-02 DAV: 17 -0.843539128746E+03 -0.96931E-03 -0.15659E-04 3120 0.303E-02 0.230E-02 DAV: 18 -0.843539884362E+03 -0.75562E-03 -0.30240E-05 2445 0.177E-02 0.116E-02 DAV: 19 -0.843540347450E+03 -0.46309E-03 -0.27222E-05 2427 0.176E-02 0.677E-03 DAV: 20 -0.843540486426E+03 -0.13898E-03 -0.30352E-05 2571 0.153E-02 0.605E-03 DAV: 21 -0.843540515222E+03 -0.28795E-04 -0.48603E-06 2022 0.519E-03 0.569E-03 DAV: 22 -0.843540528562E+03 -0.13340E-04 -0.14727E-06 1959 0.258E-03 0.374E-03 DAV: 23 -0.843540544284E+03 -0.15722E-04 -0.20058E-06 1995 0.294E-03 0.114E-03 DAV: 24 -0.843540545936E+03 -0.16519E-05 -0.61055E-07 2022 0.155E-03 1 F= -.84354055E+03 E0= -.84354470E+03 d E =0.124648E-01