./iterations/neb0_image02_iter36_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     0.423286868980E+04    0.42329E+04   -0.23865E+05  2892   0.117E+03 
DAV:   2    -0.430465984962E+03   -0.46633E+04   -0.45624E+04  3366   0.329E+02 
DAV:   3    -0.943322771615E+03   -0.51286E+03   -0.51066E+03  3120   0.117E+02 
DAV:   4    -0.955527260604E+03   -0.12204E+02   -0.12159E+02  3183   0.195E+01 
DAV:   5    -0.955928092886E+03   -0.40083E+00   -0.40029E+00  3192   0.320E+00    0.813E+01
DAV:   6    -0.847845025337E+03    0.10808E+03   -0.47090E+02  3066   0.347E+01    0.376E+01
DAV:   7    -0.847380365971E+03    0.46466E+00   -0.14434E+01  3543   0.608E+00    0.146E+01
DAV:   8    -0.847043463136E+03    0.33690E+00   -0.96744E-01  3156   0.238E+00    0.593E+00
DAV:   9    -0.846996344726E+03    0.47118E-01   -0.41256E-01  3192   0.153E+00    0.857E-01
DAV:  10    -0.847003220283E+03   -0.68756E-02   -0.73218E-02  3111   0.607E-01    0.601E-01
DAV:  11    -0.847003205324E+03    0.14959E-04   -0.66697E-03  3111   0.207E-01    0.343E-01
DAV:  12    -0.847004591070E+03   -0.13857E-02   -0.70013E-03  3057   0.245E-01    0.118E-01
DAV:  13    -0.847008041167E+03   -0.34501E-02   -0.46158E-03  3219   0.217E-01    0.135E-01
DAV:  14    -0.847012176322E+03   -0.41352E-02   -0.29926E-03  3093   0.143E-01    0.950E-02
DAV:  15    -0.847016903572E+03   -0.47272E-02   -0.11847E-03  3120   0.834E-02    0.359E-02
DAV:  16    -0.847019298345E+03   -0.23948E-02   -0.41435E-04  3111   0.489E-02    0.383E-02
DAV:  17    -0.847020367301E+03   -0.10690E-02   -0.24914E-04  3111   0.381E-02    0.268E-02
DAV:  18    -0.847021052803E+03   -0.68550E-03   -0.34123E-05  2562   0.205E-02    0.140E-02
DAV:  19    -0.847021641583E+03   -0.58878E-03   -0.41173E-05  2697   0.218E-02    0.723E-03
DAV:  20    -0.847021747341E+03   -0.10576E-03   -0.31268E-05  2697   0.141E-02    0.656E-03
DAV:  21    -0.847021786171E+03   -0.38829E-04   -0.31088E-06  1995   0.421E-03    0.575E-03
DAV:  22    -0.847021807951E+03   -0.21780E-04   -0.20446E-06  1995   0.327E-03    0.266E-03
DAV:  23    -0.847021818099E+03   -0.10148E-04   -0.15725E-06  1986   0.312E-03    0.117E-03
DAV:  24    -0.847021820930E+03   -0.28304E-05   -0.66889E-07  1995   0.177E-03 
   1 F= -.84702182E+03 E0= -.84702569E+03  d E =0.115958E-01