./iterations/neb0_image06_iter38_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     0.424081168611E+04    0.42408E+04   -0.23863E+05  2892   0.117E+03 
DAV:   2    -0.428025801227E+03   -0.46688E+04   -0.45728E+04  3369   0.329E+02 
DAV:   3    -0.942381511435E+03   -0.51436E+03   -0.51211E+03  3120   0.118E+02 
DAV:   4    -0.954651468132E+03   -0.12270E+02   -0.12224E+02  3183   0.196E+01 
DAV:   5    -0.955054275459E+03   -0.40281E+00   -0.40227E+00  3192   0.321E+00    0.812E+01
DAV:   6    -0.846916092766E+03    0.10814E+03   -0.47031E+02  3057   0.347E+01    0.375E+01
DAV:   7    -0.846446264754E+03    0.46983E+00   -0.14691E+01  3543   0.608E+00    0.146E+01
DAV:   8    -0.846084424060E+03    0.36184E+00   -0.97778E-01  3147   0.237E+00    0.596E+00
DAV:   9    -0.846008447206E+03    0.75977E-01   -0.43179E-01  3174   0.150E+00    0.871E-01
DAV:  10    -0.846003016215E+03    0.54310E-02   -0.72261E-02  3120   0.597E-01    0.578E-01
DAV:  11    -0.845996531035E+03    0.64852E-02   -0.66958E-03  3138   0.227E-01    0.325E-01
DAV:  12    -0.845990102999E+03    0.64280E-02   -0.82700E-03  3102   0.289E-01    0.129E-01
DAV:  13    -0.845989639599E+03    0.46340E-03   -0.54856E-03  3093   0.249E-01    0.152E-01
DAV:  14    -0.845992623111E+03   -0.29835E-02   -0.36193E-03  3075   0.162E-01    0.108E-01
DAV:  15    -0.845998054535E+03   -0.54314E-02   -0.15682E-03  3156   0.126E-01    0.445E-02
DAV:  16    -0.846000508443E+03   -0.24539E-02   -0.63370E-04  3102   0.609E-02    0.408E-02
DAV:  17    -0.846001521892E+03   -0.10134E-02   -0.17646E-04  3129   0.287E-02    0.250E-02
DAV:  18    -0.846002569688E+03   -0.10478E-02   -0.39686E-05  2616   0.164E-02    0.111E-02
DAV:  19    -0.846003337209E+03   -0.76752E-03   -0.38726E-05  2661   0.196E-02    0.923E-03
DAV:  20    -0.846003464137E+03   -0.12693E-03   -0.30184E-05  2670   0.133E-02    0.746E-03
DAV:  21    -0.846003512285E+03   -0.48148E-04   -0.38827E-06  1986   0.567E-03    0.465E-03
DAV:  22    -0.846003578624E+03   -0.66339E-04   -0.50467E-06  1950   0.594E-03    0.229E-03
DAV:  23    -0.846003596450E+03   -0.17826E-04   -0.31459E-06  1995   0.460E-03    0.277E-03
DAV:  24    -0.846003598677E+03   -0.22270E-05   -0.12844E-06  2031   0.306E-03 
   1 F= -.84600360E+03 E0= -.84600754E+03  d E =0.118380E-01