iterations/neb0_image05_iter63_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     0.422674461344E+04    0.42267E+04   -0.23875E+05  2901   0.117E+03 
DAV:   2    -0.430014260409E+03   -0.46568E+04   -0.45613E+04  3369   0.329E+02 
DAV:   3    -0.942530200989E+03   -0.51252E+03   -0.51027E+03  3120   0.117E+02 
DAV:   4    -0.954778017962E+03   -0.12248E+02   -0.12202E+02  3183   0.195E+01 
DAV:   5    -0.955180261132E+03   -0.40224E+00   -0.40172E+00  3192   0.320E+00    0.811E+01
DAV:   6    -0.847100773205E+03    0.10808E+03   -0.46992E+02  3057   0.347E+01    0.374E+01
DAV:   7    -0.846563257183E+03    0.53752E+00   -0.14812E+01  3543   0.623E+00    0.146E+01
DAV:   8    -0.846239476563E+03    0.32378E+00   -0.14490E+00  3759   0.334E+00    0.629E+00
DAV:   9    -0.846111328404E+03    0.12815E+00   -0.11063E+00  3570   0.297E+00    0.159E+00
DAV:  10    -0.846091502300E+03    0.19826E-01   -0.31567E-01  3129   0.127E+00    0.104E+00
DAV:  11    -0.846078152238E+03    0.13350E-01   -0.75266E-02  3120   0.570E-01    0.611E-01
DAV:  12    -0.846073742909E+03    0.44093E-02   -0.14719E-02  3822   0.381E-01    0.457E-01
DAV:  13    -0.846067146734E+03    0.65962E-02   -0.50314E-03  3327   0.228E-01    0.229E-01
DAV:  14    -0.846065197557E+03    0.19492E-02   -0.71864E-03  3111   0.258E-01    0.243E-01
DAV:  15    -0.846065635169E+03   -0.43761E-03   -0.33446E-03  3381   0.192E-01    0.123E-01
DAV:  16    -0.846069202554E+03   -0.35674E-02   -0.16395E-03  3039   0.144E-01    0.688E-02
DAV:  17    -0.846073377165E+03   -0.41746E-02   -0.16812E-03  3075   0.125E-01    0.610E-02
DAV:  18    -0.846075657971E+03   -0.22808E-02   -0.83378E-04  3075   0.843E-02    0.491E-02
DAV:  19    -0.846076541762E+03   -0.88379E-03   -0.20873E-04  3093   0.391E-02    0.307E-02
DAV:  20    -0.846077311991E+03   -0.77023E-03   -0.90715E-05  3039   0.279E-02    0.188E-02
DAV:  21    -0.846078150794E+03   -0.83880E-03   -0.47193E-05  2715   0.366E-02    0.139E-02
DAV:  22    -0.846078338175E+03   -0.18738E-03   -0.82615E-05  2922   0.243E-02    0.762E-03
DAV:  23    -0.846078420806E+03   -0.82631E-04   -0.13261E-05  2265   0.950E-03    0.807E-03
DAV:  24    -0.846078460192E+03   -0.39386E-04   -0.31045E-06  1995   0.455E-03    0.490E-03
DAV:  25    -0.846078497003E+03   -0.36812E-04   -0.61865E-06  2022   0.688E-03    0.272E-03
DAV:  26    -0.846078501506E+03   -0.45029E-05   -0.22141E-06  2004   0.364E-03 
   1 F= -.84607850E+03 E0= -.84609131E+03  d E =0.384275E-01