./iterations/neb0_image01_iter2_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     0.423015896391E+04    0.42302E+04   -0.23864E+05  2892   0.117E+03 
DAV:   2    -0.430486331351E+03   -0.46606E+04   -0.45575E+04  3366   0.329E+02 
DAV:   3    -0.943188555661E+03   -0.51270E+03   -0.51049E+03  3120   0.117E+02 
DAV:   4    -0.955396496974E+03   -0.12208E+02   -0.12163E+02  3192   0.195E+01 
DAV:   5    -0.955792090901E+03   -0.39559E+00   -0.39507E+00  3201   0.318E+00    0.813E+01
DAV:   6    -0.847380665267E+03    0.10841E+03   -0.47225E+02  3057   0.347E+01    0.377E+01
DAV:   7    -0.846889186453E+03    0.49148E+00   -0.14413E+01  3534   0.606E+00    0.146E+01
DAV:   8    -0.846542890861E+03    0.34630E+00   -0.95202E-01  3165   0.238E+00    0.596E+00
DAV:   9    -0.846491651896E+03    0.51239E-01   -0.42455E-01  3192   0.155E+00    0.877E-01
DAV:  10    -0.846496275623E+03   -0.46237E-02   -0.71592E-02  3129   0.598E-01    0.591E-01
DAV:  11    -0.846495017811E+03    0.12578E-02   -0.70472E-03  3129   0.212E-01    0.329E-01
DAV:  12    -0.846495119880E+03   -0.10207E-03   -0.67513E-03  3120   0.247E-01    0.118E-01
DAV:  13    -0.846497904058E+03   -0.27842E-02   -0.47949E-03  3138   0.229E-01    0.134E-01
DAV:  14    -0.846501999123E+03   -0.40951E-02   -0.32173E-03  3084   0.147E-01    0.910E-02
DAV:  15    -0.846506579391E+03   -0.45803E-02   -0.13834E-03  3084   0.939E-02    0.444E-02
DAV:  16    -0.846508849148E+03   -0.22698E-02   -0.36894E-04  3102   0.530E-02    0.387E-02
DAV:  17    -0.846509914382E+03   -0.10652E-02   -0.33045E-04  3111   0.404E-02    0.289E-02
DAV:  18    -0.846510650784E+03   -0.73640E-03   -0.40958E-05  2670   0.231E-02    0.147E-02
DAV:  19    -0.846511230273E+03   -0.57949E-03   -0.45316E-05  2733   0.219E-02    0.737E-03
DAV:  20    -0.846511335332E+03   -0.10506E-03   -0.29471E-05  2670   0.136E-02    0.667E-03
DAV:  21    -0.846511373836E+03   -0.38504E-04   -0.30008E-06  1995   0.397E-03    0.566E-03
DAV:  22    -0.846511396849E+03   -0.23013E-04   -0.20604E-06  1977   0.304E-03    0.262E-03
DAV:  23    -0.846511409830E+03   -0.12981E-04   -0.16583E-06  1968   0.322E-03    0.105E-03
DAV:  24    -0.846511412527E+03   -0.26968E-05   -0.74364E-07  2004   0.179E-03 
   1 F= -.84651141E+03 E0= -.84651528E+03  d E =0.115958E-01