./iterations/neb0_image07_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     0.423758514733E+04    0.42376E+04   -0.23862E+05  2892   0.117E+03 
DAV:   2    -0.426973002376E+03   -0.46646E+04   -0.45670E+04  3351   0.329E+02 
DAV:   3    -0.942601812875E+03   -0.51563E+03   -0.51337E+03  3120   0.118E+02 
DAV:   4    -0.954943009925E+03   -0.12341E+02   -0.12294E+02  3183   0.196E+01 
DAV:   5    -0.955348747945E+03   -0.40574E+00   -0.40520E+00  3183   0.321E+00    0.812E+01
DAV:   6    -0.847277501992E+03    0.10807E+03   -0.47059E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.846807939000E+03    0.46956E+00   -0.14669E+01  3525   0.614E+00    0.146E+01
DAV:   8    -0.846461306092E+03    0.34663E+00   -0.94003E-01  3363   0.274E+00    0.609E+00
DAV:   9    -0.846381900542E+03    0.79406E-01   -0.55746E-01  3507   0.206E+00    0.148E+00
DAV:  10    -0.846362422272E+03    0.19478E-01   -0.10013E-01  3498   0.936E-01    0.143E+00
DAV:  11    -0.846341092543E+03    0.21330E-01   -0.26785E-02  3426   0.451E-01    0.105E+00
DAV:  12    -0.846339985170E+03    0.11074E-02   -0.13568E-01  4065   0.503E-01    0.119E+00
DAV:  13    -0.846334058291E+03    0.59269E-02   -0.27333E-02  4137   0.525E-01    0.880E-01
DAV:  14    -0.846325847592E+03    0.82107E-02   -0.59620E-02  3876   0.397E-01    0.445E-01
DAV:  15    -0.846321899166E+03    0.39484E-02   -0.78414E-03  3048   0.304E-01    0.201E-01
DAV:  16    -0.846321750022E+03    0.14914E-03   -0.66471E-03  3318   0.210E-01    0.215E-01
DAV:  17    -0.846322114638E+03   -0.36462E-03   -0.34725E-03  3354   0.180E-01    0.127E-01
DAV:  18    -0.846325405642E+03   -0.32910E-02   -0.30111E-03  3291   0.194E-01    0.119E-01
DAV:  19    -0.846328299780E+03   -0.28941E-02   -0.26596E-03  3129   0.141E-01    0.730E-02
DAV:  20    -0.846329325041E+03   -0.10253E-02   -0.73509E-04  3129   0.546E-02    0.708E-02
DAV:  21    -0.846330362881E+03   -0.10378E-02   -0.16208E-04  3084   0.277E-02    0.621E-02
DAV:  22    -0.846332154002E+03   -0.17911E-02   -0.37847E-04  3093   0.386E-02    0.492E-02
DAV:  23    -0.846333027881E+03   -0.87388E-03   -0.13807E-04  2850   0.351E-02    0.172E-02
DAV:  24    -0.846333538139E+03   -0.51026E-03   -0.52245E-05  2877   0.165E-02    0.192E-02
DAV:  25    -0.846333764562E+03   -0.22642E-03   -0.19772E-05  2040   0.113E-02    0.803E-03
DAV:  26    -0.846333849971E+03   -0.85408E-04   -0.71751E-06  1977   0.705E-03    0.578E-03
DAV:  27    -0.846333912057E+03   -0.62087E-04   -0.40124E-06  1968   0.654E-03    0.248E-03
DAV:  28    -0.846333930132E+03   -0.18075E-04   -0.29922E-06  1986   0.436E-03    0.169E-03
DAV:  29    -0.846333933575E+03   -0.34430E-05   -0.95820E-07  2013   0.209E-03 
   1 F= -.84633393E+03 E0= -.84638157E+03  d E =0.142910E+00