./iterations/neb0_image05_iter65_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     0.422703921786E+04    0.42270E+04   -0.23876E+05  2901   0.117E+03 
DAV:   2    -0.430018366469E+03   -0.46571E+04   -0.45614E+04  3369   0.329E+02 
DAV:   3    -0.942571075258E+03   -0.51255E+03   -0.51031E+03  3120   0.117E+02 
DAV:   4    -0.954818123200E+03   -0.12247E+02   -0.12201E+02  3183   0.195E+01 
DAV:   5    -0.955220712399E+03   -0.40259E+00   -0.40207E+00  3201   0.320E+00    0.811E+01
DAV:   6    -0.847106817931E+03    0.10811E+03   -0.46995E+02  3057   0.347E+01    0.375E+01
DAV:   7    -0.846629317248E+03    0.47750E+00   -0.14837E+01  3543   0.649E+00    0.147E+01
DAV:   8    -0.846210436853E+03    0.41888E+00   -0.14297E+00  3462   0.356E+00    0.623E+00
DAV:   9    -0.846115098298E+03    0.95339E-01   -0.70523E-01  3192   0.204E+00    0.131E+00
DAV:  10    -0.846103416942E+03    0.11681E-01   -0.20587E-01  3174   0.108E+00    0.105E+00
DAV:  11    -0.846093421833E+03    0.99951E-02   -0.54632E-02  3750   0.579E-01    0.689E-01
DAV:  12    -0.846084686406E+03    0.87354E-02   -0.12856E-02  3084   0.323E-01    0.381E-01
DAV:  13    -0.846078923699E+03    0.57627E-02   -0.10532E-02  3138   0.331E-01    0.268E-01
DAV:  14    -0.846077812712E+03    0.11110E-02   -0.48536E-03  3327   0.202E-01    0.141E-01
DAV:  15    -0.846078543126E+03   -0.73041E-03   -0.23325E-03  3210   0.140E-01    0.141E-01
DAV:  16    -0.846081076578E+03   -0.25335E-02   -0.18470E-03  2994   0.121E-01    0.783E-02
DAV:  17    -0.846084338040E+03   -0.32615E-02   -0.11208E-03  3066   0.115E-01    0.719E-02
DAV:  18    -0.846087235198E+03   -0.28972E-02   -0.54583E-04  3606   0.133E-01    0.534E-02
DAV:  19    -0.846087777995E+03   -0.54280E-03   -0.65296E-04  3174   0.909E-02    0.581E-02
DAV:  20    -0.846087991206E+03   -0.21321E-03   -0.20903E-04  3129   0.438E-02    0.653E-02
DAV:  21    -0.846088745400E+03   -0.75419E-03   -0.73977E-05  3435   0.922E-02    0.606E-02
DAV:  22    -0.846089145595E+03   -0.40020E-03   -0.31022E-04  3885   0.105E-01    0.492E-02
DAV:  23    -0.846090070611E+03   -0.92502E-03   -0.29551E-04  3786   0.880E-02    0.365E-02
DAV:  24    -0.846090690737E+03   -0.62013E-03   -0.14817E-04  3624   0.716E-02    0.241E-02
DAV:  25    -0.846091171751E+03   -0.48101E-03   -0.67312E-05  3660   0.880E-02    0.160E-02
DAV:  26    -0.846091470404E+03   -0.29865E-03   -0.16440E-04  4173   0.993E-02    0.160E-02
DAV:  27    -0.846091568446E+03   -0.98042E-04   -0.22373E-04  3147   0.575E-02    0.229E-02
DAV:  28    -0.846091584512E+03   -0.16067E-04   -0.87279E-05  3120   0.181E-02    0.313E-02
DAV:  29    -0.846091585649E+03   -0.11372E-05   -0.12193E-06  1932   0.259E-03 
   1 F= -.84609159E+03 E0= -.84611000E+03  d E =0.552308E-01