./iterations/neb0_image07_iter69_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423811138807E+04 0.42381E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.429014005304E+03 -0.46671E+04 -0.45690E+04 3375 0.329E+02
DAV: 3 -0.942821441280E+03 -0.51381E+03 -0.51162E+03 3120 0.117E+02
DAV: 4 -0.955046409554E+03 -0.12225E+02 -0.12180E+02 3183 0.195E+01
DAV: 5 -0.955447267279E+03 -0.40086E+00 -0.40031E+00 3183 0.320E+00 0.812E+01
DAV: 6 -0.847549136959E+03 0.10790E+03 -0.47101E+02 3102 0.348E+01 0.376E+01
DAV: 7 -0.846839134561E+03 0.71000E+00 -0.14985E+01 3516 0.663E+00 0.149E+01
DAV: 8 -0.846585207994E+03 0.25393E+00 -0.30427E+00 3165 0.386E+00 0.608E+00
DAV: 9 -0.846459744098E+03 0.12546E+00 -0.79689E-01 3237 0.206E+00 0.151E+00
DAV: 10 -0.846463312801E+03 -0.35687E-02 -0.23042E-01 3345 0.127E+00 0.167E+00
DAV: 11 -0.846417265357E+03 0.46047E-01 -0.37592E-02 3570 0.750E-01 0.109E+00
DAV: 12 -0.846408288785E+03 0.89766E-02 -0.61337E-02 3228 0.602E-01 0.114E+00
DAV: 13 -0.846401500037E+03 0.67887E-02 -0.67179E-02 3768 0.512E-01 0.777E-01
DAV: 14 -0.846389566691E+03 0.11933E-01 -0.24053E-02 3084 0.504E-01 0.419E-01
DAV: 15 -0.846388807007E+03 0.75968E-03 -0.30738E-02 3372 0.319E-01 0.347E-01
DAV: 16 -0.846388647890E+03 0.15912E-03 -0.14354E-02 3093 0.294E-01 0.498E-01
DAV: 17 -0.846386765738E+03 0.18822E-02 -0.57164E-03 3246 0.203E-01 0.236E-01
DAV: 18 -0.846388505132E+03 -0.17394E-02 -0.35762E-03 2994 0.137E-01 0.155E-01
DAV: 19 -0.846389900558E+03 -0.13954E-02 -0.14503E-03 3345 0.100E-01 0.806E-02
DAV: 20 -0.846393376164E+03 -0.34756E-02 -0.11785E-03 3066 0.106E-01 0.763E-02
DAV: 21 -0.846396129446E+03 -0.27533E-02 -0.10379E-03 3102 0.764E-02 0.625E-02
DAV: 22 -0.846397539622E+03 -0.14102E-02 -0.34171E-04 3111 0.404E-02 0.723E-02
DAV: 23 -0.846398419591E+03 -0.87997E-03 -0.21219E-04 3147 0.255E-02 0.201E-02
DAV: 24 -0.846399101794E+03 -0.68220E-03 -0.49304E-05 2706 0.204E-02 0.160E-02
DAV: 25 -0.846399332916E+03 -0.23112E-03 -0.31474E-05 2004 0.179E-02 0.173E-02
DAV: 26 -0.846399526965E+03 -0.19405E-03 -0.18995E-05 1959 0.107E-02 0.650E-03
DAV: 27 -0.846399623864E+03 -0.96899E-04 -0.83475E-06 1986 0.808E-03 0.654E-03
DAV: 28 -0.846399676845E+03 -0.52981E-04 -0.63236E-06 1959 0.796E-03 0.312E-03
DAV: 29 -0.846399691104E+03 -0.14260E-04 -0.35292E-06 1995 0.393E-03 0.321E-03
DAV: 30 -0.846399692113E+03 -0.10083E-05 -0.74432E-07 2040 0.154E-03
1 F= -.84639969E+03 E0= -.84644913E+03 d E =0.148301E+00