iterations/neb0_image04_iter44_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 0.423735722141E+04 0.42374E+04 -0.23866E+05 2892 0.117E+03 DAV: 2 -0.426521312062E+03 -0.46639E+04 -0.45674E+04 3348 0.329E+02 DAV: 3 -0.942409625685E+03 -0.51589E+03 -0.51363E+03 3120 0.118E+02 DAV: 4 -0.954818831440E+03 -0.12409E+02 -0.12362E+02 3192 0.197E+01 DAV: 5 -0.955228688146E+03 -0.40986E+00 -0.40930E+00 3201 0.322E+00 0.813E+01 DAV: 6 -0.847089603389E+03 0.10814E+03 -0.47062E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.846627835969E+03 0.46177E+00 -0.14419E+01 3543 0.609E+00 0.146E+01 DAV: 8 -0.846296270867E+03 0.33157E+00 -0.97568E-01 3165 0.238E+00 0.594E+00 DAV: 9 -0.846251607766E+03 0.44663E-01 -0.41165E-01 3192 0.153E+00 0.857E-01 DAV: 10 -0.846257832811E+03 -0.62250E-02 -0.74258E-02 3138 0.610E-01 0.612E-01 DAV: 11 -0.846257303852E+03 0.52896E-03 -0.64892E-03 3111 0.209E-01 0.353E-01 DAV: 12 -0.846257930011E+03 -0.62616E-03 -0.71246E-03 3084 0.250E-01 0.120E-01 DAV: 13 -0.846261051881E+03 -0.31219E-02 -0.45710E-03 3201 0.219E-01 0.138E-01 DAV: 14 -0.846265173154E+03 -0.41213E-02 -0.31508E-03 3057 0.149E-01 0.986E-02 DAV: 15 -0.846269801654E+03 -0.46285E-02 -0.12251E-03 3129 0.877E-02 0.370E-02 DAV: 16 -0.846272266063E+03 -0.24644E-02 -0.43476E-04 3084 0.514E-02 0.392E-02 DAV: 17 -0.846273321648E+03 -0.10556E-02 -0.27404E-04 3147 0.408E-02 0.282E-02 DAV: 18 -0.846273982133E+03 -0.66048E-03 -0.35675E-05 2625 0.201E-02 0.151E-02 DAV: 19 -0.846274616158E+03 -0.63402E-03 -0.40921E-05 2652 0.224E-02 0.750E-03 DAV: 20 -0.846274735577E+03 -0.11942E-03 -0.37444E-05 2805 0.154E-02 0.711E-03 DAV: 21 -0.846274781067E+03 -0.45490E-04 -0.35649E-06 2004 0.471E-03 0.621E-03 DAV: 22 -0.846274805336E+03 -0.24270E-04 -0.23616E-06 1977 0.342E-03 0.290E-03 DAV: 23 -0.846274817134E+03 -0.11798E-04 -0.17340E-06 1977 0.317E-03 0.128E-03 DAV: 24 -0.846274819651E+03 -0.25167E-05 -0.66607E-07 1995 0.179E-03 1 F= -.84627482E+03 E0= -.84627868E+03 d E =0.115959E-01