./iterations/neb0_image02_iter23_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     0.423041546796E+04    0.42304E+04   -0.23863E+05  2892   0.117E+03 
DAV:   2    -0.431860849379E+03   -0.46623E+04   -0.45623E+04  3366   0.329E+02 
DAV:   3    -0.943135723979E+03   -0.51127E+03   -0.50908E+03  3120   0.117E+02 
DAV:   4    -0.955311966557E+03   -0.12176E+02   -0.12130E+02  3183   0.195E+01 
DAV:   5    -0.955711703027E+03   -0.39974E+00   -0.39919E+00  3192   0.320E+00    0.812E+01
DAV:   6    -0.847694726823E+03    0.10802E+03   -0.47103E+02  3066   0.347E+01    0.376E+01
DAV:   7    -0.847232515330E+03    0.46221E+00   -0.14344E+01  3552   0.607E+00    0.146E+01
DAV:   8    -0.846898581648E+03    0.33393E+00   -0.95948E-01  3165   0.239E+00    0.593E+00
DAV:   9    -0.846854510515E+03    0.44071E-01   -0.41289E-01  3183   0.154E+00    0.858E-01
DAV:  10    -0.846861471585E+03   -0.69611E-02   -0.74157E-02  3120   0.613E-01    0.598E-01
DAV:  11    -0.846861358714E+03    0.11287E-03   -0.66908E-03  3111   0.208E-01    0.342E-01
DAV:  12    -0.846862541117E+03   -0.11824E-02   -0.68050E-03  3066   0.244E-01    0.118E-01
DAV:  13    -0.846865855117E+03   -0.33140E-02   -0.44401E-03  3183   0.217E-01    0.134E-01
DAV:  14    -0.846869950613E+03   -0.40955E-02   -0.31120E-03  3111   0.147E-01    0.933E-02
DAV:  15    -0.846874645687E+03   -0.46951E-02   -0.12819E-03  3111   0.900E-02    0.396E-02
DAV:  16    -0.846876828125E+03   -0.21824E-02   -0.37243E-04  3111   0.492E-02    0.377E-02
DAV:  17    -0.846877894876E+03   -0.10668E-02   -0.26580E-04  3111   0.382E-02    0.270E-02
DAV:  18    -0.846878594670E+03   -0.69979E-03   -0.32974E-05  2517   0.207E-02    0.141E-02
DAV:  19    -0.846879171592E+03   -0.57692E-03   -0.42848E-05  2724   0.221E-02    0.711E-03
DAV:  20    -0.846879263859E+03   -0.92267E-04   -0.29836E-05  2634   0.135E-02    0.672E-03
DAV:  21    -0.846879303125E+03   -0.39266E-04   -0.31052E-06  1995   0.413E-03    0.568E-03
DAV:  22    -0.846879327373E+03   -0.24248E-04   -0.23529E-06  1995   0.357E-03    0.249E-03
DAV:  23    -0.846879337376E+03   -0.10003E-04   -0.16439E-06  1986   0.339E-03    0.122E-03
DAV:  24    -0.846879339804E+03   -0.24286E-05   -0.64423E-07  1995   0.180E-03 
   1 F= -.84687934E+03 E0= -.84688321E+03  d E =0.115958E-01