./iterations/neb0_image05_iter70_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     0.422701720377E+04    0.42270E+04   -0.23876E+05  2901   0.117E+03 
DAV:   2    -0.428579961642E+03   -0.46556E+04   -0.45592E+04  3375   0.329E+02 
DAV:   3    -0.942522213735E+03   -0.51394E+03   -0.51171E+03  3120   0.117E+02 
DAV:   4    -0.954822198694E+03   -0.12300E+02   -0.12254E+02  3192   0.196E+01 
DAV:   5    -0.955227027222E+03   -0.40483E+00   -0.40431E+00  3201   0.321E+00    0.811E+01
DAV:   6    -0.847131985661E+03    0.10810E+03   -0.46987E+02  3066   0.347E+01    0.375E+01
DAV:   7    -0.846695391810E+03    0.43659E+00   -0.14816E+01  3543   0.652E+00    0.147E+01
DAV:   8    -0.846261869940E+03    0.43352E+00   -0.12877E+00  3408   0.342E+00    0.620E+00
DAV:   9    -0.846164780096E+03    0.97090E-01   -0.61403E-01  3183   0.193E+00    0.142E+00
DAV:  10    -0.846141400009E+03    0.23380E-01   -0.23882E-01  3552   0.147E+00    0.115E+00
DAV:  11    -0.846129111264E+03    0.12289E-01   -0.10289E-01  3426   0.785E-01    0.974E-01
DAV:  12    -0.846120502063E+03    0.86092E-02   -0.17122E-02  3597   0.538E-01    0.734E-01
DAV:  13    -0.846113598908E+03    0.69032E-02   -0.23474E-02  3480   0.339E-01    0.430E-01
DAV:  14    -0.846109419948E+03    0.41790E-02   -0.13295E-02  3354   0.344E-01    0.358E-01
DAV:  15    -0.846107424243E+03    0.19957E-02   -0.63181E-03  3048   0.246E-01    0.278E-01
DAV:  16    -0.846107591806E+03   -0.16756E-03   -0.51845E-03  3120   0.164E-01    0.139E-01
DAV:  17    -0.846109246023E+03   -0.16542E-02   -0.15322E-03  3057   0.104E-01    0.971E-02
DAV:  18    -0.846112502982E+03   -0.32570E-02   -0.12393E-03  3111   0.925E-02    0.653E-02
DAV:  19    -0.846115916410E+03   -0.34134E-02   -0.10260E-03  3075   0.842E-02    0.837E-02
DAV:  20    -0.846117718316E+03   -0.18019E-02   -0.42807E-04  3111   0.550E-02    0.462E-02
DAV:  21    -0.846118879722E+03   -0.11614E-02   -0.14973E-04  3093   0.259E-02    0.261E-02
DAV:  22    -0.846119522163E+03   -0.64244E-03   -0.58670E-05  2706   0.225E-02    0.226E-02
DAV:  23    -0.846120080976E+03   -0.55881E-03   -0.51620E-05  2724   0.244E-02    0.158E-02
DAV:  24    -0.846120245778E+03   -0.16480E-03   -0.26968E-05  2238   0.120E-02    0.891E-03
DAV:  25    -0.846120313831E+03   -0.68053E-04   -0.78355E-06  1977   0.623E-03    0.733E-03
DAV:  26    -0.846120383325E+03   -0.69494E-04   -0.42657E-06  1968   0.662E-03    0.535E-03
DAV:  27    -0.846120425736E+03   -0.42411E-04   -0.48061E-06  2013   0.703E-03    0.259E-03
DAV:  28    -0.846120434318E+03   -0.85815E-05   -0.33861E-06  1995   0.537E-03 
   1 F= -.84612043E+03 E0= -.84616884E+03  d E =0.145213E+00