./iterations/neb0_image07_iter43_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     0.423755745534E+04    0.42376E+04   -0.23863E+05  2892   0.117E+03 
DAV:   2    -0.427084110392E+03   -0.46646E+04   -0.45673E+04  3354   0.329E+02 
DAV:   3    -0.942621506593E+03   -0.51554E+03   -0.51329E+03  3120   0.118E+02 
DAV:   4    -0.954954154683E+03   -0.12333E+02   -0.12286E+02  3183   0.196E+01 
DAV:   5    -0.955359513480E+03   -0.40536E+00   -0.40482E+00  3183   0.321E+00    0.812E+01
DAV:   6    -0.847293065787E+03    0.10807E+03   -0.47068E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.846794999803E+03    0.49807E+00   -0.14501E+01  3525   0.608E+00    0.146E+01
DAV:   8    -0.846526266311E+03    0.26873E+00   -0.10689E+00  3633   0.323E+00    0.628E+00
DAV:   9    -0.846371590090E+03    0.15468E+00   -0.99591E-01  3768   0.265E+00    0.169E+00
DAV:  10    -0.846343590056E+03    0.28000E-01   -0.24897E-01  3120   0.109E+00    0.104E+00
DAV:  11    -0.846358572744E+03   -0.14983E-01   -0.24989E-01  3309   0.806E-01    0.159E+00
DAV:  12    -0.846351640921E+03    0.69318E-02   -0.44592E-02  4182   0.747E-01    0.123E+00
DAV:  13    -0.846336294185E+03    0.15347E-01   -0.19496E-02  3291   0.451E-01    0.105E+00
DAV:  14    -0.846321659111E+03    0.14635E-01   -0.23384E-02  3498   0.349E-01    0.492E-01
DAV:  15    -0.846322561295E+03   -0.90218E-03   -0.39301E-02  3102   0.310E-01    0.763E-01
DAV:  16    -0.846318918556E+03    0.36427E-02   -0.13636E-02  3543   0.323E-01    0.230E-01
DAV:  17    -0.846320841228E+03   -0.19227E-02   -0.86699E-03  3111   0.202E-01    0.293E-01
DAV:  18    -0.846321595875E+03   -0.75465E-03   -0.40262E-03  3093   0.153E-01    0.114E-01
DAV:  19    -0.846325190935E+03   -0.35951E-02   -0.20984E-03  3165   0.140E-01    0.971E-02
DAV:  20    -0.846328100701E+03   -0.29098E-02   -0.14068E-03  3219   0.118E-01    0.655E-02
DAV:  21    -0.846329263623E+03   -0.11629E-02   -0.60687E-04  3102   0.537E-02    0.707E-02
DAV:  22    -0.846330022712E+03   -0.75909E-03   -0.68297E-05  2967   0.309E-02    0.592E-02
DAV:  23    -0.846331206032E+03   -0.11833E-02   -0.11384E-04  3354   0.599E-02    0.492E-02
DAV:  24    -0.846331697455E+03   -0.49142E-03   -0.26277E-04  3561   0.539E-02    0.403E-02
DAV:  25    -0.846331851069E+03   -0.15361E-03   -0.10256E-04  3093   0.276E-02    0.419E-02
DAV:  26    -0.846331902966E+03   -0.51897E-04   -0.18574E-05  2229   0.114E-02    0.372E-02
DAV:  27    -0.846332000875E+03   -0.97909E-04   -0.77621E-05  2346   0.182E-02    0.170E-02
DAV:  28    -0.846332050946E+03   -0.50071E-04   -0.30497E-05  2724   0.209E-02    0.311E-02
DAV:  29    -0.846332049551E+03    0.13943E-05   -0.21283E-05  2454   0.120E-02 
   1 F= -.84633205E+03 E0= -.84637691E+03  d E =0.134573E+00