./iterations/neb0_image09_iter69_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     0.422401337614E+04    0.42240E+04   -0.23877E+05  2901   0.117E+03 
DAV:   2    -0.430397689224E+03   -0.46544E+04   -0.45559E+04  3366   0.329E+02 
DAV:   3    -0.943030034728E+03   -0.51263E+03   -0.51047E+03  3120   0.117E+02 
DAV:   4    -0.955253557165E+03   -0.12224E+02   -0.12178E+02  3183   0.195E+01 
DAV:   5    -0.955655993820E+03   -0.40244E+00   -0.40190E+00  3183   0.321E+00    0.813E+01
DAV:   6    -0.847638337383E+03    0.10802E+03   -0.47167E+02  3057   0.348E+01    0.376E+01
DAV:   7    -0.847085089148E+03    0.55325E+00   -0.14661E+01  3507   0.623E+00    0.147E+01
DAV:   8    -0.846738419153E+03    0.34667E+00   -0.16587E+00  3237   0.353E+00    0.607E+00
DAV:   9    -0.846643897207E+03    0.94522E-01   -0.66970E-01  3201   0.196E+00    0.139E+00
DAV:  10    -0.846630379913E+03    0.13517E-01   -0.17846E-01  3390   0.124E+00    0.150E+00
DAV:  11    -0.846603240351E+03    0.27140E-01   -0.87404E-02  3696   0.878E-01    0.111E+00
DAV:  12    -0.846604768362E+03   -0.15280E-02   -0.83599E-02  3786   0.663E-01    0.773E-01
DAV:  13    -0.846594233083E+03    0.10535E-01   -0.13313E-01  3408   0.830E-01    0.933E-01
DAV:  14    -0.846585071139E+03    0.91619E-02   -0.48582E-02  3633   0.447E-01    0.364E-01
DAV:  15    -0.846585122747E+03   -0.51607E-04   -0.35466E-02  3057   0.495E-01    0.527E-01
DAV:  16    -0.846581508413E+03    0.36143E-02   -0.99618E-03  3147   0.228E-01    0.283E-01
DAV:  17    -0.846582091985E+03   -0.58357E-03   -0.47239E-03  3147   0.162E-01    0.151E-01
DAV:  18    -0.846583697661E+03   -0.16057E-02   -0.19819E-03  3075   0.119E-01    0.870E-02
DAV:  19    -0.846587590116E+03   -0.38925E-02   -0.25182E-03  3174   0.156E-01    0.141E-01
DAV:  20    -0.846589549367E+03   -0.19593E-02   -0.15111E-03  3102   0.881E-02    0.628E-02
DAV:  21    -0.846591285006E+03   -0.17356E-02   -0.47364E-04  3093   0.515E-02    0.440E-02
DAV:  22    -0.846593032302E+03   -0.17473E-02   -0.21930E-04  3084   0.339E-02    0.353E-02
DAV:  23    -0.846594164761E+03   -0.11325E-02   -0.92194E-05  2796   0.273E-02    0.189E-02
DAV:  24    -0.846594644678E+03   -0.47992E-03   -0.61818E-05  2670   0.224E-02    0.132E-02
DAV:  25    -0.846594914139E+03   -0.26946E-03   -0.22348E-05  1986   0.116E-02    0.629E-03
DAV:  26    -0.846595012816E+03   -0.98677E-04   -0.73285E-06  1995   0.797E-03    0.484E-03
DAV:  27    -0.846595084176E+03   -0.71360E-04   -0.60312E-06  1950   0.691E-03    0.245E-03
DAV:  28    -0.846595110396E+03   -0.26220E-04   -0.34913E-06  1986   0.447E-03    0.239E-03
DAV:  29    -0.846595115696E+03   -0.52999E-05   -0.11895E-06  2004   0.226E-03 
   1 F= -.84659512E+03 E0= -.84664539E+03  d E =0.150812E+00