./iterations/neb0_image05_iter67_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     0.422730820177E+04    0.42273E+04   -0.23876E+05  2901   0.117E+03 
DAV:   2    -0.428302414870E+03   -0.46556E+04   -0.45594E+04  3360   0.329E+02 
DAV:   3    -0.942521439130E+03   -0.51422E+03   -0.51196E+03  3120   0.117E+02 
DAV:   4    -0.954854208245E+03   -0.12333E+02   -0.12287E+02  3201   0.196E+01 
DAV:   5    -0.955253545062E+03   -0.39934E+00   -0.39882E+00  3201   0.319E+00    0.812E+01
DAV:   6    -0.847112171914E+03    0.10814E+03   -0.46996E+02  3066   0.347E+01    0.375E+01
DAV:   7    -0.846649502140E+03    0.46267E+00   -0.14893E+01  3561   0.638E+00    0.147E+01
DAV:   8    -0.846241934168E+03    0.40757E+00   -0.16151E+00  3426   0.359E+00    0.622E+00
DAV:   9    -0.846145964480E+03    0.95970E-01   -0.70997E-01  3183   0.201E+00    0.125E+00
DAV:  10    -0.846140322229E+03    0.56423E-02   -0.19572E-01  3156   0.107E+00    0.120E+00
DAV:  11    -0.846126853159E+03    0.13469E-01   -0.40357E-02  3723   0.614E-01    0.727E-01
DAV:  12    -0.846118525352E+03    0.83278E-02   -0.15704E-02  3102   0.376E-01    0.415E-01
DAV:  13    -0.846106877087E+03    0.11648E-01   -0.63171E-03  3615   0.578E-01    0.381E-01
DAV:  14    -0.846099472606E+03    0.74045E-02   -0.10046E-02  3156   0.361E-01    0.479E-01
DAV:  15    -0.846106548164E+03   -0.70756E-02   -0.44478E-03  3345   0.308E-01    0.356E-01
DAV:  16    -0.846109380436E+03   -0.28323E-02   -0.23449E-03  3786   0.255E-01    0.292E-01
DAV:  17    -0.846111405938E+03   -0.20255E-02   -0.32859E-03  3696   0.253E-01    0.206E-01
DAV:  18    -0.846113629516E+03   -0.22236E-02   -0.20486E-03  3147   0.213E-01    0.140E-01
DAV:  19    -0.846117869440E+03   -0.42399E-02   -0.14001E-03  4191   0.305E-01    0.937E-02
DAV:  20    -0.846123209480E+03   -0.53400E-02   -0.25005E-03  3597   0.346E-01    0.105E-01
DAV:  21    -0.846126626494E+03   -0.34170E-02   -0.28478E-03  3534   0.295E-01    0.153E-01
DAV:  22    -0.846128140114E+03   -0.15136E-02   -0.17726E-03  3174   0.178E-01    0.178E-01
DAV:  23    -0.846128964065E+03   -0.82395E-03   -0.56768E-04  3417   0.108E-01    0.193E-01
DAV:  24    -0.846127950625E+03    0.10134E-02   -0.43559E-04  3201   0.147E-01    0.208E-01
DAV:  25    -0.846127665126E+03    0.28550E-03   -0.18650E-04  3444   0.507E-02    0.206E-01
DAV:  26    -0.846127972498E+03   -0.30737E-03   -0.12137E-04  3075   0.334E-02    0.194E-01
DAV:  27    -0.846126350761E+03    0.16217E-02   -0.31992E-04  4488   0.378E-01    0.166E-01
DAV:  28    -0.846125556426E+03    0.79433E-03   -0.21691E-03  4344   0.289E-01    0.149E-01
DAV:  29    -0.846125527652E+03    0.28774E-04   -0.18617E-03  3102   0.958E-02    0.141E-01
DAV:  30    -0.846125526248E+03    0.14038E-05   -0.13711E-04  3084   0.226E-02    0.136E-01
DAV:  31    -0.846125457556E+03    0.68692E-04   -0.27833E-05  2328   0.126E-02    0.137E-01
DAV:  32    -0.846124822473E+03    0.63508E-03   -0.70636E-04  3840   0.184E-01    0.185E-01
DAV:  33    -0.846125290464E+03   -0.46799E-03   -0.53950E-06  3183   0.129E-01    0.163E-01
DAV:  34    -0.846126227171E+03   -0.93671E-03   -0.20890E-04  4272   0.181E-01    0.155E-01
DAV:  35    -0.846130039694E+03   -0.38125E-02    0.65783E-05  4425   0.756E-01    0.133E-01
DAV:  36    -0.846131602605E+03   -0.15629E-02   -0.45046E-03  3147   0.187E-01    0.162E-01
DAV:  37    -0.846131872045E+03   -0.26944E-03   -0.12564E-03  3129   0.671E-02    0.193E-01
DAV:  38    -0.846131848061E+03    0.23984E-04   -0.23812E-05  2283   0.921E-03    0.194E-01
DAV:  39    -0.846131952730E+03   -0.10467E-03   -0.53194E-05  2832   0.149E-02    0.207E-01
DAV:  40    -0.846131923653E+03    0.29077E-04   -0.37134E-06  1941   0.548E-03    0.207E-01
DAV:  41    -0.846131901216E+03    0.22437E-04   -0.23392E-06  1824   0.442E-03    0.205E-01
DAV:  42    -0.846131945846E+03   -0.44629E-04   -0.63660E-06  2022   0.139E-02    0.209E-01
DAV:  43    -0.846131702652E+03    0.24319E-03   -0.63357E-05  2949   0.532E-02    0.197E-01
DAV:  44    -0.846131696998E+03    0.56537E-05   -0.79512E-05  2967   0.147E-02 
   1 F= -.84613170E+03 E0= -.84614917E+03  d E =0.524095E-01