./iterations/neb0_image04_iter42_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     0.423714861683E+04    0.42371E+04   -0.23866E+05  2892   0.117E+03 
DAV:   2    -0.426497795320E+03   -0.46636E+04   -0.45671E+04  3348   0.329E+02 
DAV:   3    -0.942376450630E+03   -0.51588E+03   -0.51362E+03  3120   0.118E+02 
DAV:   4    -0.954786415482E+03   -0.12410E+02   -0.12363E+02  3192   0.197E+01 
DAV:   5    -0.955195920894E+03   -0.40951E+00   -0.40894E+00  3192   0.322E+00    0.813E+01
DAV:   6    -0.847064441786E+03    0.10813E+03   -0.47061E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.846604611434E+03    0.45983E+00   -0.14417E+01  3543   0.609E+00    0.146E+01
DAV:   8    -0.846274043923E+03    0.33057E+00   -0.97532E-01  3165   0.238E+00    0.594E+00
DAV:   9    -0.846230297386E+03    0.43747E-01   -0.41174E-01  3192   0.152E+00    0.858E-01
DAV:  10    -0.846236622712E+03   -0.63253E-02   -0.74211E-02  3138   0.610E-01    0.612E-01
DAV:  11    -0.846236140380E+03    0.48233E-03   -0.65132E-03  3111   0.209E-01    0.353E-01
DAV:  12    -0.846236828696E+03   -0.68832E-03   -0.71027E-03  3093   0.249E-01    0.120E-01
DAV:  13    -0.846239942435E+03   -0.31137E-02   -0.44982E-03  3165   0.218E-01    0.137E-01
DAV:  14    -0.846244050133E+03   -0.41077E-02   -0.31747E-03  3075   0.149E-01    0.983E-02
DAV:  15    -0.846248689394E+03   -0.46393E-02   -0.12853E-03  3129   0.901E-02    0.385E-02
DAV:  16    -0.846251071155E+03   -0.23818E-02   -0.40910E-04  3075   0.517E-02    0.388E-02
DAV:  17    -0.846252118506E+03   -0.10474E-02   -0.28909E-04  3156   0.412E-02    0.288E-02
DAV:  18    -0.846252778351E+03   -0.65984E-03   -0.35988E-05  2679   0.205E-02    0.151E-02
DAV:  19    -0.846253403266E+03   -0.62492E-03   -0.41334E-05  2688   0.226E-02    0.740E-03
DAV:  20    -0.846253519780E+03   -0.11651E-03   -0.37483E-05  2805   0.153E-02    0.736E-03
DAV:  21    -0.846253564142E+03   -0.44361E-04   -0.35217E-06  2004   0.458E-03    0.631E-03
DAV:  22    -0.846253588460E+03   -0.24318E-04   -0.23729E-06  1977   0.339E-03    0.293E-03
DAV:  23    -0.846253601031E+03   -0.12571E-04   -0.17755E-06  1977   0.326E-03    0.125E-03
DAV:  24    -0.846253603508E+03   -0.24774E-05   -0.71831E-07  2004   0.184E-03 
   1 F= -.84625360E+03 E0= -.84625747E+03  d E =0.115959E-01