./iterations/neb0_image04_iter28_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     0.423283548556E+04    0.42328E+04   -0.23861E+05  2892   0.117E+03 
DAV:   2    -0.428743996441E+03   -0.46616E+04   -0.45670E+04  3360   0.329E+02 
DAV:   3    -0.942085686588E+03   -0.51334E+03   -0.51108E+03  3120   0.117E+02 
DAV:   4    -0.954380910728E+03   -0.12295E+02   -0.12248E+02  3192   0.196E+01 
DAV:   5    -0.954785187937E+03   -0.40428E+00   -0.40371E+00  3192   0.321E+00    0.811E+01
DAV:   6    -0.846674254287E+03    0.10811E+03   -0.47076E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.846217928027E+03    0.45633E+00   -0.14359E+01  3534   0.610E+00    0.146E+01
DAV:   8    -0.845891056502E+03    0.32687E+00   -0.97175E-01  3165   0.238E+00    0.596E+00
DAV:   9    -0.845849668392E+03    0.41388E-01   -0.41554E-01  3183   0.153E+00    0.859E-01
DAV:  10    -0.845855718470E+03   -0.60501E-02   -0.71540E-02  3120   0.600E-01    0.609E-01
DAV:  11    -0.845855083368E+03    0.63510E-03   -0.65616E-03  3111   0.211E-01    0.347E-01
DAV:  12    -0.845855300760E+03   -0.21739E-03   -0.67173E-03  3084   0.248E-01    0.117E-01
DAV:  13    -0.845857878148E+03   -0.25774E-02   -0.43858E-03  3147   0.217E-01    0.135E-01
DAV:  14    -0.845861610449E+03   -0.37323E-02   -0.30441E-03  3111   0.146E-01    0.942E-02
DAV:  15    -0.845866184023E+03   -0.45736E-02   -0.13331E-03  3066   0.952E-02    0.417E-02
DAV:  16    -0.845868322841E+03   -0.21388E-02   -0.38850E-04  3138   0.520E-02    0.383E-02
DAV:  17    -0.845869363655E+03   -0.10408E-02   -0.27495E-04  3120   0.394E-02    0.274E-02
DAV:  18    -0.845870078079E+03   -0.71442E-03   -0.35934E-05  2607   0.206E-02    0.136E-02
DAV:  19    -0.845870663306E+03   -0.58523E-03   -0.38292E-05  2670   0.216E-02    0.702E-03
DAV:  20    -0.845870761905E+03   -0.98599E-04   -0.30874E-05  2697   0.136E-02    0.651E-03
DAV:  21    -0.845870806136E+03   -0.44232E-04   -0.28992E-06  1995   0.401E-03    0.550E-03
DAV:  22    -0.845870835251E+03   -0.29115E-04   -0.25571E-06  1968   0.353E-03    0.221E-03
DAV:  23    -0.845870846860E+03   -0.11609E-04   -0.14209E-06  1986   0.315E-03    0.120E-03
DAV:  24    -0.845870849189E+03   -0.23291E-05   -0.66724E-07  1995   0.185E-03 
   1 F= -.84587085E+03 E0= -.84587471E+03  d E =0.115959E-01