./iterations/neb0_image05_iter62_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     0.422676849934E+04    0.42268E+04   -0.23875E+05  2901   0.117E+03 
DAV:   2    -0.430058450624E+03   -0.46568E+04   -0.45615E+04  3369   0.329E+02 
DAV:   3    -0.942503830723E+03   -0.51245E+03   -0.51020E+03  3120   0.117E+02 
DAV:   4    -0.954748651425E+03   -0.12245E+02   -0.12199E+02  3183   0.195E+01 
DAV:   5    -0.955150544422E+03   -0.40189E+00   -0.40135E+00  3183   0.320E+00    0.811E+01
DAV:   6    -0.847093510764E+03    0.10806E+03   -0.46987E+02  3057   0.347E+01    0.374E+01
DAV:   7    -0.846565429453E+03    0.52808E+00   -0.14797E+01  3552   0.620E+00    0.146E+01
DAV:   8    -0.846179545088E+03    0.38588E+00   -0.10213E+00  3156   0.252E+00    0.605E+00
DAV:   9    -0.846158173370E+03    0.21372E-01   -0.55075E-01  3831   0.278E+00    0.184E+00
DAV:  10    -0.846088906758E+03    0.69267E-01   -0.23033E-01  3390   0.141E+00    0.173E+00
DAV:  11    -0.846057212128E+03    0.31695E-01   -0.74441E-02  3210   0.681E-01    0.123E+00
DAV:  12    -0.846050862541E+03    0.63496E-02   -0.14465E-01  3750   0.697E-01    0.948E-01
DAV:  13    -0.846042846513E+03    0.80160E-02   -0.38800E-02  3327   0.503E-01    0.961E-01
DAV:  14    -0.846035285171E+03    0.75613E-02   -0.17275E-02  3876   0.583E-01    0.618E-01
DAV:  15    -0.846029429348E+03    0.58558E-02   -0.33595E-02  3219   0.342E-01    0.223E-01
DAV:  16    -0.846028539812E+03    0.88954E-03   -0.43233E-03  3039   0.265E-01    0.215E-01
DAV:  17    -0.846028953221E+03   -0.41341E-03   -0.11156E-02  3291   0.188E-01    0.297E-01
DAV:  18    -0.846029850860E+03   -0.89764E-03   -0.42004E-03  3039   0.158E-01    0.106E-01
DAV:  19    -0.846034050596E+03   -0.41997E-02   -0.21012E-03  3084   0.136E-01    0.684E-02
DAV:  20    -0.846036394511E+03   -0.23439E-02   -0.97998E-04  3156   0.806E-02    0.615E-02
DAV:  21    -0.846037670911E+03   -0.12764E-02   -0.21367E-04  3093   0.320E-02    0.375E-02
DAV:  22    -0.846039595164E+03   -0.19243E-02   -0.18844E-04  3021   0.339E-02    0.376E-02
DAV:  23    -0.846040424923E+03   -0.82976E-03   -0.61862E-05  2850   0.230E-02    0.195E-02
DAV:  24    -0.846040853216E+03   -0.42829E-03   -0.49807E-05  2697   0.159E-02    0.218E-02
DAV:  25    -0.846041116798E+03   -0.26358E-03   -0.14443E-05  2067   0.986E-03    0.819E-03
DAV:  26    -0.846041310523E+03   -0.19372E-03   -0.13514E-05  2103   0.859E-03    0.484E-03
DAV:  27    -0.846041357791E+03   -0.47268E-04   -0.45071E-06  1995   0.631E-03    0.300E-03
DAV:  28    -0.846041373900E+03   -0.16109E-04   -0.24253E-06  1977   0.460E-03    0.187E-03
DAV:  29    -0.846041379318E+03   -0.54178E-05   -0.10233E-06  1995   0.247E-03 
   1 F= -.84604138E+03 E0= -.84608694E+03  d E =0.136695E+00