./iterations/neb0_image02_iter30_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 0.423247588313E+04 0.42325E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430527914868E+03 -0.46630E+04 -0.45622E+04 3366 0.329E+02
DAV: 3 -0.943294870580E+03 -0.51277E+03 -0.51057E+03 3120 0.117E+02
DAV: 4 -0.955499802464E+03 -0.12205E+02 -0.12159E+02 3183 0.195E+01
DAV: 5 -0.955901322982E+03 -0.40152E+00 -0.40098E+00 3201 0.320E+00 0.813E+01
DAV: 6 -0.847778915215E+03 0.10812E+03 -0.47102E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847312417226E+03 0.46650E+00 -0.14419E+01 3534 0.609E+00 0.146E+01
DAV: 8 -0.846981657027E+03 0.33076E+00 -0.96245E-01 3165 0.237E+00 0.594E+00
DAV: 9 -0.846938930747E+03 0.42726E-01 -0.40911E-01 3192 0.151E+00 0.858E-01
DAV: 10 -0.846946291387E+03 -0.73606E-02 -0.71806E-02 3111 0.602E-01 0.592E-01
DAV: 11 -0.846946608249E+03 -0.31686E-03 -0.65849E-03 3120 0.209E-01 0.337E-01
DAV: 12 -0.846948409849E+03 -0.18016E-02 -0.68732E-03 3048 0.240E-01 0.117E-01
DAV: 13 -0.846951887574E+03 -0.34777E-02 -0.41905E-03 3237 0.206E-01 0.133E-01
DAV: 14 -0.846955863116E+03 -0.39755E-02 -0.27947E-03 3102 0.139E-01 0.931E-02
DAV: 15 -0.846960465514E+03 -0.46024E-02 -0.10996E-03 3084 0.839E-02 0.337E-02
DAV: 16 -0.846962838558E+03 -0.23730E-02 -0.43647E-04 3102 0.488E-02 0.360E-02
DAV: 17 -0.846963924622E+03 -0.10861E-02 -0.19676E-04 3093 0.349E-02 0.243E-02
DAV: 18 -0.846964595447E+03 -0.67083E-03 -0.28414E-05 2400 0.188E-02 0.132E-02
DAV: 19 -0.846965131579E+03 -0.53613E-03 -0.38609E-05 2652 0.209E-02 0.672E-03
DAV: 20 -0.846965231421E+03 -0.99843E-04 -0.28067E-05 2499 0.137E-02 0.621E-03
DAV: 21 -0.846965270460E+03 -0.39038E-04 -0.36559E-06 1986 0.480E-03 0.562E-03
DAV: 22 -0.846965289733E+03 -0.19273E-04 -0.20991E-06 1995 0.357E-03 0.269E-03
DAV: 23 -0.846965297238E+03 -0.75055E-05 -0.18006E-06 1986 0.320E-03
1 F= -.84696530E+03 E0= -.84696916E+03 d E =0.115958E-01