iterations/neb0_image04_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 0.422995202244E+04 0.42300E+04 -0.23858E+05 2892 0.117E+03 DAV: 2 -0.428382527091E+03 -0.46583E+04 -0.45642E+04 3360 0.329E+02 DAV: 3 -0.941726411641E+03 -0.51334E+03 -0.51108E+03 3120 0.117E+02 DAV: 4 -0.954034937570E+03 -0.12309E+02 -0.12261E+02 3192 0.196E+01 DAV: 5 -0.954440201075E+03 -0.40526E+00 -0.40469E+00 3192 0.321E+00 0.810E+01 DAV: 6 -0.846038834261E+03 0.10840E+03 -0.47206E+02 3057 0.348E+01 0.376E+01 DAV: 7 -0.845614651323E+03 0.42418E+00 -0.14463E+01 3543 0.609E+00 0.146E+01 DAV: 8 -0.845292442259E+03 0.32221E+00 -0.94965E-01 3174 0.235E+00 0.602E+00 DAV: 9 -0.845249804894E+03 0.42637E-01 -0.42029E-01 3192 0.153E+00 0.919E-01 DAV: 10 -0.845218699873E+03 0.31105E-01 -0.70975E-02 3291 0.762E-01 0.797E-01 DAV: 11 -0.845214183731E+03 0.45161E-02 -0.40000E-02 3534 0.421E-01 0.598E-01 DAV: 12 -0.845220585863E+03 -0.64021E-02 -0.49164E-02 3408 0.352E-01 0.122E+00 DAV: 13 -0.845206185076E+03 0.14401E-01 -0.71109E-02 3507 0.286E-01 0.348E-01 DAV: 14 -0.845207283184E+03 -0.10981E-02 -0.19056E-02 3057 0.328E-01 0.388E-01 DAV: 15 -0.845205769981E+03 0.15132E-02 -0.10530E-02 3372 0.240E-01 0.191E-01 DAV: 16 -0.845206614585E+03 -0.84460E-03 -0.30271E-03 3057 0.189E-01 0.232E-01 DAV: 17 -0.845207683761E+03 -0.10692E-02 -0.23577E-03 3192 0.173E-01 0.196E-01 DAV: 18 -0.845210090812E+03 -0.24071E-02 -0.25323E-03 3399 0.177E-01 0.892E-02 DAV: 19 -0.845212002856E+03 -0.19120E-02 -0.15472E-03 3111 0.110E-01 0.661E-02 DAV: 20 -0.845212745194E+03 -0.74234E-03 -0.36796E-04 3120 0.424E-02 0.612E-02 DAV: 21 -0.845214043423E+03 -0.12982E-02 -0.23102E-04 3066 0.382E-02 0.375E-02 DAV: 22 -0.845215168288E+03 -0.11249E-02 -0.18376E-04 2877 0.368E-02 0.242E-02 DAV: 23 -0.845215817120E+03 -0.64883E-03 -0.97889E-05 2949 0.265E-02 0.155E-02 DAV: 24 -0.845216337472E+03 -0.52035E-03 -0.39328E-05 2481 0.188E-02 0.168E-02 DAV: 25 -0.845216542018E+03 -0.20455E-03 -0.18723E-05 2022 0.112E-02 0.835E-03 DAV: 26 -0.845216657941E+03 -0.11592E-03 -0.77396E-06 1986 0.781E-03 0.585E-03 DAV: 27 -0.845216736237E+03 -0.78296E-04 -0.60664E-06 1977 0.580E-03 0.591E-03 DAV: 28 -0.845216762251E+03 -0.26015E-04 -0.28914E-06 1995 0.534E-03 0.168E-03 DAV: 29 -0.845216766582E+03 -0.43309E-05 -0.14997E-06 2031 0.238E-03 1 F= -.84521677E+03 E0= -.84526287E+03 d E =0.138304E+00