iterations/neb0_image05_iter43_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     0.424060067530E+04    0.42406E+04   -0.23861E+05  2892   0.117E+03 
DAV:   2    -0.423416461384E+03   -0.46640E+04   -0.45683E+04  3342   0.329E+02 
DAV:   3    -0.941798394521E+03   -0.51838E+03   -0.51607E+03  3120   0.118E+02 
DAV:   4    -0.954285486530E+03   -0.12487E+02   -0.12440E+02  3174   0.197E+01 
DAV:   5    -0.954697331069E+03   -0.41184E+00   -0.41127E+00  3183   0.323E+00    0.811E+01
DAV:   6    -0.846678972730E+03    0.10802E+03   -0.46977E+02  3057   0.347E+01    0.375E+01
DAV:   7    -0.846191463247E+03    0.48751E+00   -0.14591E+01  3534   0.611E+00    0.146E+01
DAV:   8    -0.845821414712E+03    0.37005E+00   -0.98218E-01  3165   0.240E+00    0.595E+00
DAV:   9    -0.845722991142E+03    0.98424E-01   -0.43608E-01  3183   0.162E+00    0.103E+00
DAV:  10    -0.845719466744E+03    0.35244E-02   -0.97401E-02  3516   0.107E+00    0.151E+00
DAV:  11    -0.845688897247E+03    0.30569E-01   -0.47422E-02  3435   0.671E-01    0.108E+00
DAV:  12    -0.845684837965E+03    0.40593E-02   -0.57767E-02  3309   0.436E-01    0.763E-01
DAV:  13    -0.845673913784E+03    0.10924E-01   -0.24018E-02  3165   0.480E-01    0.453E-01
DAV:  14    -0.845671393046E+03    0.25207E-02   -0.15087E-02  3417   0.269E-01    0.256E-01
DAV:  15    -0.845669063566E+03    0.23295E-02   -0.13881E-02  3498   0.462E-01    0.433E-01
DAV:  16    -0.845667259583E+03    0.18040E-02   -0.11002E-02  3165   0.209E-01    0.156E-01
DAV:  17    -0.845669300615E+03   -0.20410E-02   -0.45444E-03  2994   0.200E-01    0.194E-01
DAV:  18    -0.845671678213E+03   -0.23776E-02   -0.41520E-03  3165   0.141E-01    0.127E-01
DAV:  19    -0.845674454479E+03   -0.27763E-02   -0.11731E-03  3066   0.113E-01    0.115E-01
DAV:  20    -0.845676859305E+03   -0.24048E-02   -0.11372E-03  3084   0.744E-02    0.675E-02
DAV:  21    -0.845678400369E+03   -0.15411E-02   -0.35594E-04  3084   0.439E-02    0.604E-02
DAV:  22    -0.845679170813E+03   -0.77044E-03   -0.12390E-04  3102   0.261E-02    0.340E-02
DAV:  23    -0.845680008615E+03   -0.83780E-03   -0.38355E-05  2643   0.170E-02    0.200E-02
DAV:  24    -0.845680477462E+03   -0.46885E-03   -0.32071E-05  2319   0.172E-02    0.870E-03
DAV:  25    -0.845680680891E+03   -0.20343E-03   -0.16420E-05  1986   0.116E-02    0.105E-02
DAV:  26    -0.845680786884E+03   -0.10599E-03   -0.73208E-06  1986   0.658E-03    0.536E-03
DAV:  27    -0.845680836784E+03   -0.49900E-04   -0.42221E-06  1986   0.616E-03    0.567E-03
DAV:  28    -0.845680873023E+03   -0.36238E-04   -0.46303E-06  1950   0.528E-03    0.209E-03
DAV:  29    -0.845680878721E+03   -0.56985E-05   -0.16248E-06  2022   0.280E-03 
   1 F= -.84568088E+03 E0= -.84572810E+03  d E =0.141650E+00