./iterations/neb0_image08_iter43_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     0.423665716572E+04    0.42367E+04   -0.23863E+05  2892   0.117E+03 
DAV:   2    -0.428010633112E+03   -0.46647E+04   -0.45657E+04  3357   0.329E+02 
DAV:   3    -0.942815088843E+03   -0.51480E+03   -0.51260E+03  3120   0.118E+02 
DAV:   4    -0.955099121152E+03   -0.12284E+02   -0.12238E+02  3183   0.196E+01 
DAV:   5    -0.955504016930E+03   -0.40490E+00   -0.40437E+00  3219   0.321E+00    0.812E+01
DAV:   6    -0.847546539373E+03    0.10796E+03   -0.47111E+02  3093   0.348E+01    0.376E+01
DAV:   7    -0.846917731202E+03    0.62881E+00   -0.14737E+01  3507   0.642E+00    0.148E+01
DAV:   8    -0.846638051257E+03    0.27968E+00   -0.21366E+00  3156   0.332E+00    0.598E+00
DAV:   9    -0.846506616580E+03    0.13143E+00   -0.62184E-01  3282   0.191E+00    0.132E+00
DAV:  10    -0.846483286318E+03    0.23330E-01   -0.24012E-01  3372   0.139E+00    0.136E+00
DAV:  11    -0.846476735839E+03    0.65505E-02   -0.12224E-01  3489   0.761E-01    0.832E-01
DAV:  12    -0.846463839484E+03    0.12896E-01   -0.86450E-02  3192   0.674E-01    0.784E-01
DAV:  13    -0.846458176480E+03    0.56630E-02   -0.64223E-02  3660   0.408E-01    0.571E-01
DAV:  14    -0.846453923019E+03    0.42535E-02   -0.44985E-02  3669   0.480E-01    0.482E-01
DAV:  15    -0.846451556363E+03    0.23667E-02   -0.89684E-03  3174   0.247E-01    0.452E-01
DAV:  16    -0.846449619038E+03    0.19373E-02   -0.63726E-03  3219   0.192E-01    0.267E-01
DAV:  17    -0.846450190080E+03   -0.57104E-03   -0.43804E-03  3102   0.160E-01    0.113E-01
DAV:  18    -0.846452521644E+03   -0.23316E-02   -0.16968E-03  3093   0.120E-01    0.828E-02
DAV:  19    -0.846456314614E+03   -0.37930E-02   -0.10711E-03  3048   0.950E-02    0.640E-02
DAV:  20    -0.846459045504E+03   -0.27309E-02   -0.75644E-04  3228   0.673E-02    0.679E-02
DAV:  21    -0.846460432431E+03   -0.13869E-02   -0.28070E-04  3093   0.361E-02    0.425E-02
DAV:  22    -0.846461610660E+03   -0.11782E-02   -0.84289E-05  3048   0.208E-02    0.276E-02
DAV:  23    -0.846462467094E+03   -0.85643E-03   -0.65329E-05  2688   0.241E-02    0.120E-02
DAV:  24    -0.846462776687E+03   -0.30959E-03   -0.22739E-05  2166   0.135E-02    0.873E-03
DAV:  25    -0.846462933296E+03   -0.15661E-03   -0.93576E-06  1968   0.802E-03    0.623E-03
DAV:  26    -0.846463020942E+03   -0.87645E-04   -0.52835E-06  1968   0.650E-03    0.336E-03
DAV:  27    -0.846463057284E+03   -0.36342E-04   -0.39679E-06  1977   0.559E-03    0.242E-03
DAV:  28    -0.846463070377E+03   -0.13093E-04   -0.23675E-06  1986   0.407E-03    0.272E-03
DAV:  29    -0.846463074128E+03   -0.37506E-05   -0.94789E-07  1995   0.205E-03 
   1 F= -.84646307E+03 E0= -.84651277E+03  d E =0.149083E+00