iterations/neb0_image04_iter2_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 0.423503929593E+04 0.42350E+04 -0.23868E+05 2892 0.117E+03 DAV: 2 -0.423862758473E+03 -0.46589E+04 -0.45616E+04 3369 0.329E+02 DAV: 3 -0.938773457977E+03 -0.51491E+03 -0.51256E+03 3120 0.118E+02 DAV: 4 -0.951094838888E+03 -0.12321E+02 -0.12275E+02 3183 0.196E+01 DAV: 5 -0.951500357826E+03 -0.40552E+00 -0.40497E+00 3183 0.321E+00 0.819E+01 DAV: 6 -0.841130027561E+03 0.11037E+03 -0.47791E+02 3057 0.350E+01 0.379E+01 DAV: 7 -0.840536768570E+03 0.59326E+00 -0.14767E+01 3480 0.624E+00 0.147E+01 DAV: 8 -0.840166715212E+03 0.37005E+00 -0.98808E-01 3192 0.240E+00 0.602E+00 DAV: 9 -0.840110521842E+03 0.56193E-01 -0.43531E-01 3174 0.161E+00 0.896E-01 DAV: 10 -0.840113980407E+03 -0.34586E-02 -0.75613E-02 3102 0.618E-01 0.598E-01 DAV: 11 -0.840112154884E+03 0.18255E-02 -0.90434E-03 3138 0.228E-01 0.330E-01 DAV: 12 -0.840111717370E+03 0.43751E-03 -0.66444E-03 3129 0.242E-01 0.124E-01 DAV: 13 -0.840114144150E+03 -0.24268E-02 -0.52812E-03 3093 0.237E-01 0.129E-01 DAV: 14 -0.840118670350E+03 -0.45262E-02 -0.35995E-03 3084 0.155E-01 0.832E-02 DAV: 15 -0.840121589038E+03 -0.29187E-02 -0.65769E-04 3093 0.628E-02 0.439E-02 DAV: 16 -0.840124884569E+03 -0.32955E-02 -0.54744E-04 3048 0.457E-02 0.329E-02 DAV: 17 -0.840125948336E+03 -0.10638E-02 -0.15630E-04 3111 0.305E-02 0.236E-02 DAV: 18 -0.840126909982E+03 -0.96165E-03 -0.50661E-05 2904 0.180E-02 0.171E-02 DAV: 19 -0.840127552500E+03 -0.64252E-03 -0.40853E-05 2634 0.224E-02 0.732E-03 DAV: 20 -0.840127715455E+03 -0.16295E-03 -0.41379E-05 2796 0.165E-02 0.796E-03 DAV: 21 -0.840127761271E+03 -0.45816E-04 -0.53151E-06 2040 0.545E-03 0.564E-03 DAV: 22 -0.840127784783E+03 -0.23512E-04 -0.30898E-06 1986 0.341E-03 0.260E-03 DAV: 23 -0.840127797613E+03 -0.12830E-04 -0.17186E-06 2013 0.260E-03 0.156E-03 DAV: 24 -0.840127800284E+03 -0.26705E-05 -0.48309E-07 1995 0.178E-03 1 F= -.84012780E+03 E0= -.84013610E+03 d E =0.248891E-01