./iterations/neb0_image03_iter45_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     0.423574126149E+04    0.42357E+04   -0.23867E+05  2892   0.117E+03 
DAV:   2    -0.430125664059E+03   -0.46659E+04   -0.45665E+04  3363   0.329E+02 
DAV:   3    -0.943053770217E+03   -0.51293E+03   -0.51071E+03  3120   0.117E+02 
DAV:   4    -0.955297384883E+03   -0.12244E+02   -0.12198E+02  3201   0.195E+01 
DAV:   5    -0.955693792872E+03   -0.39641E+00   -0.39588E+00  3201   0.319E+00    0.813E+01
DAV:   6    -0.847585546182E+03    0.10811E+03   -0.47063E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.847121777098E+03    0.46377E+00   -0.14467E+01  3543   0.610E+00    0.146E+01
DAV:   8    -0.846788051499E+03    0.33373E+00   -0.96770E-01  3165   0.238E+00    0.594E+00
DAV:   9    -0.846742586940E+03    0.45465E-01   -0.40947E-01  3192   0.153E+00    0.856E-01
DAV:  10    -0.846749520055E+03   -0.69331E-02   -0.75442E-02  3120   0.616E-01    0.604E-01
DAV:  11    -0.846749478225E+03    0.41830E-04   -0.67481E-03  3129   0.208E-01    0.349E-01
DAV:  12    -0.846750825857E+03   -0.13476E-02   -0.70444E-03  3048   0.243E-01    0.120E-01
DAV:  13    -0.846754384256E+03   -0.35584E-02   -0.45457E-03  3255   0.216E-01    0.136E-01
DAV:  14    -0.846758705279E+03   -0.43210E-02   -0.30920E-03  3075   0.147E-01    0.966E-02
DAV:  15    -0.846763300675E+03   -0.45954E-02   -0.11116E-03  3183   0.821E-02    0.344E-02
DAV:  16    -0.846765890565E+03   -0.25899E-02   -0.45614E-04  3084   0.501E-02    0.381E-02
DAV:  17    -0.846766972438E+03   -0.10819E-02   -0.23908E-04  3129   0.388E-02    0.264E-02
DAV:  18    -0.846767626527E+03   -0.65409E-03   -0.32373E-05  2517   0.197E-02    0.146E-02
DAV:  19    -0.846768230317E+03   -0.60379E-03   -0.42067E-05  2697   0.225E-02    0.712E-03
DAV:  20    -0.846768344322E+03   -0.11400E-03   -0.33622E-05  2724   0.148E-02    0.678E-03
DAV:  21    -0.846768387354E+03   -0.43032E-04   -0.33798E-06  2004   0.463E-03    0.590E-03
DAV:  22    -0.846768409772E+03   -0.22418E-04   -0.22160E-06  1986   0.339E-03    0.271E-03
DAV:  23    -0.846768419875E+03   -0.10103E-04   -0.15833E-06  1986   0.310E-03    0.119E-03
DAV:  24    -0.846768422437E+03   -0.25625E-05   -0.63872E-07  2013   0.176E-03 
   1 F= -.84676842E+03 E0= -.84677229E+03  d E =0.115959E-01