iterations/neb0_image07_iter46_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 0.423758449490E+04 0.42376E+04 -0.23862E+05 2892 0.117E+03 DAV: 2 -0.426952992565E+03 -0.46645E+04 -0.45669E+04 3351 0.329E+02 DAV: 3 -0.942595452378E+03 -0.51564E+03 -0.51339E+03 3120 0.118E+02 DAV: 4 -0.954937523679E+03 -0.12342E+02 -0.12295E+02 3183 0.196E+01 DAV: 5 -0.955342998641E+03 -0.40547E+00 -0.40492E+00 3174 0.321E+00 0.812E+01 DAV: 6 -0.847311526665E+03 0.10803E+03 -0.47056E+02 3066 0.347E+01 0.376E+01 DAV: 7 -0.846810254635E+03 0.50127E+00 -0.14696E+01 3525 0.628E+00 0.147E+01 DAV: 8 -0.846459464708E+03 0.35079E+00 -0.10846E+00 3147 0.247E+00 0.589E+00 DAV: 9 -0.846371266614E+03 0.88198E-01 -0.49169E-01 3156 0.164E+00 0.110E+00 DAV: 10 -0.846371698925E+03 -0.43231E-03 -0.93538E-02 3786 0.111E+00 0.139E+00 DAV: 11 -0.846341760617E+03 0.29938E-01 -0.42542E-02 3525 0.581E-01 0.107E+00 DAV: 12 -0.846341287558E+03 0.47306E-03 -0.63989E-02 3471 0.488E-01 0.796E-01 DAV: 13 -0.846330857045E+03 0.10431E-01 -0.17865E-02 3201 0.425E-01 0.798E-01 DAV: 14 -0.846330015658E+03 0.84139E-03 -0.70276E-02 3624 0.622E-01 0.907E-01 DAV: 15 -0.846324740812E+03 0.52748E-02 -0.14351E-02 3183 0.284E-01 0.737E-01 DAV: 16 -0.846319365975E+03 0.53748E-02 -0.89480E-03 3453 0.193E-01 0.398E-01 DAV: 17 -0.846319809514E+03 -0.44354E-03 -0.92872E-03 3066 0.182E-01 0.167E-01 DAV: 18 -0.846321752491E+03 -0.19430E-02 -0.29156E-03 3192 0.180E-01 0.130E-01 DAV: 19 -0.846323862872E+03 -0.21104E-02 -0.19135E-03 3084 0.111E-01 0.173E-01 DAV: 20 -0.846326158421E+03 -0.22955E-02 -0.80847E-04 3111 0.779E-02 0.654E-02 DAV: 21 -0.846329508684E+03 -0.33503E-02 -0.73844E-04 3084 0.679E-02 0.575E-02 DAV: 22 -0.846330796131E+03 -0.12874E-02 -0.21988E-04 3129 0.381E-02 0.329E-02 DAV: 23 -0.846331760920E+03 -0.96479E-03 -0.79929E-05 3075 0.195E-02 0.282E-02 DAV: 24 -0.846332391468E+03 -0.63055E-03 -0.62877E-05 2427 0.211E-02 0.146E-02 DAV: 25 -0.846332672984E+03 -0.28152E-03 -0.24164E-05 2220 0.110E-02 0.744E-03 DAV: 26 -0.846332815139E+03 -0.14216E-03 -0.77133E-06 1977 0.953E-03 0.898E-03 DAV: 27 -0.846332882943E+03 -0.67804E-04 -0.11521E-05 1977 0.661E-03 0.720E-03 DAV: 28 -0.846332909445E+03 -0.26503E-04 -0.62751E-06 1986 0.655E-03 0.493E-03 DAV: 29 -0.846332918921E+03 -0.94758E-05 -0.22046E-06 1977 0.322E-03 1 F= -.84633292E+03 E0= -.84638105E+03 d E =0.144406E+00