iterations/neb0_image05_iter82_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     0.422727962303E+04    0.42273E+04   -0.23876E+05  2901   0.117E+03 
DAV:   2    -0.428567391963E+03   -0.46558E+04   -0.45592E+04  3366   0.329E+02 
DAV:   3    -0.942493590760E+03   -0.51393E+03   -0.51169E+03  3120   0.117E+02 
DAV:   4    -0.954805170569E+03   -0.12312E+02   -0.12265E+02  3192   0.196E+01 
DAV:   5    -0.955210537730E+03   -0.40537E+00   -0.40484E+00  3201   0.321E+00    0.811E+01
DAV:   6    -0.847204222633E+03    0.10801E+03   -0.46966E+02  3057   0.347E+01    0.375E+01
DAV:   7    -0.846720904925E+03    0.48332E+00   -0.14708E+01  3552   0.621E+00    0.146E+01
DAV:   8    -0.846357773402E+03    0.36313E+00   -0.17066E+00  3390   0.335E+00    0.618E+00
DAV:   9    -0.846268406699E+03    0.89367E-01   -0.67160E-01  3183   0.192E+00    0.114E+00
DAV:  10    -0.846252304468E+03    0.16102E-01   -0.14587E-01  3129   0.861E-01    0.805E-01
DAV:  11    -0.846243359005E+03    0.89455E-02   -0.28925E-02  3147   0.546E-01    0.565E-01
DAV:  12    -0.846239266713E+03    0.40923E-02   -0.12238E-02  3606   0.308E-01    0.382E-01
DAV:  13    -0.846232859256E+03    0.64075E-02   -0.44223E-03  3120   0.294E-01    0.159E-01
DAV:  14    -0.846231857541E+03    0.10017E-02   -0.50925E-03  3075   0.235E-01    0.138E-01
DAV:  15    -0.846234842692E+03   -0.29852E-02   -0.32873E-03  3057   0.215E-01    0.882E-02
DAV:  16    -0.846238528600E+03   -0.36859E-02   -0.11749E-03  3120   0.136E-01    0.568E-02
DAV:  17    -0.846241130021E+03   -0.26014E-02   -0.53739E-04  3093   0.794E-02    0.446E-02
DAV:  18    -0.846242621232E+03   -0.14912E-02   -0.11727E-04  3111   0.614E-02    0.254E-02
DAV:  19    -0.846243621419E+03   -0.10002E-02   -0.90568E-05  3426   0.717E-02    0.231E-02
DAV:  20    -0.846243617014E+03    0.44053E-05   -0.16635E-04  3093   0.239E-02    0.273E-02
DAV:  21    -0.846243709760E+03   -0.92746E-04   -0.46341E-06  1959   0.520E-03    0.240E-02
DAV:  22    -0.846244020501E+03   -0.31074E-03   -0.30407E-04  3030   0.432E-02    0.488E-02
DAV:  23    -0.846244177077E+03   -0.15658E-03   -0.47460E-05  2760   0.148E-02    0.607E-02
DAV:  24    -0.846244664332E+03   -0.48725E-03   -0.11435E-04  3237   0.410E-02    0.957E-02
DAV:  25    -0.846244954180E+03   -0.28985E-03   -0.11487E-04  3660   0.629E-02    0.123E-01
DAV:  26    -0.846245008382E+03   -0.54202E-04   -0.11492E-04  3192   0.353E-02    0.134E-01
DAV:  27    -0.846245006276E+03    0.21062E-05   -0.18856E-05  2364   0.860E-03 
   1 F= -.84624501E+03 E0= -.84625985E+03  d E =0.445308E-01