./iterations/neb0_image05_iter20_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     0.423090022621E+04    0.42309E+04   -0.23853E+05  2892   0.117E+03 
DAV:   2    -0.425007935775E+03   -0.46559E+04   -0.45600E+04  3351   0.329E+02 
DAV:   3    -0.940433841916E+03   -0.51543E+03   -0.51311E+03  3120   0.118E+02 
DAV:   4    -0.952867903280E+03   -0.12434E+02   -0.12387E+02  3210   0.196E+01 
DAV:   5    -0.953266366818E+03   -0.39846E+00   -0.39792E+00  3183   0.318E+00    0.808E+01
DAV:   6    -0.845267393692E+03    0.10800E+03   -0.47096E+02  3057   0.347E+01    0.374E+01
DAV:   7    -0.844865359686E+03    0.40203E+00   -0.14338E+01  3525   0.606E+00    0.145E+01
DAV:   8    -0.844526940047E+03    0.33842E+00   -0.93203E-01  3147   0.238E+00    0.602E+00
DAV:   9    -0.844459813244E+03    0.67127E-01   -0.32437E-01  3264   0.198E+00    0.174E+00
DAV:  10    -0.844429119616E+03    0.30694E-01   -0.90751E-02  3381   0.105E+00    0.108E+00
DAV:  11    -0.844436084397E+03   -0.69648E-02   -0.14197E-01  3192   0.724E-01    0.124E+00
DAV:  12    -0.844420084825E+03    0.16000E-01   -0.34263E-02  3507   0.713E-01    0.959E-01
DAV:  13    -0.844413324269E+03    0.67606E-02   -0.16663E-02  3327   0.322E-01    0.638E-01
DAV:  14    -0.844406475158E+03    0.68491E-02   -0.14076E-02  3327   0.328E-01    0.343E-01
DAV:  15    -0.844405534198E+03    0.94096E-03   -0.16840E-02  3345   0.361E-01    0.414E-01
DAV:  16    -0.844404728264E+03    0.80593E-03   -0.73603E-03  3228   0.193E-01    0.218E-01
DAV:  17    -0.844405357923E+03   -0.62966E-03   -0.16570E-03  3030   0.896E-02    0.118E-01
DAV:  18    -0.844407582068E+03   -0.22241E-02   -0.13472E-03  3003   0.997E-02    0.854E-02
DAV:  19    -0.844410523710E+03   -0.29416E-02   -0.11287E-03  3102   0.105E-01    0.615E-02
DAV:  20    -0.844412760011E+03   -0.22363E-02   -0.71088E-04  3111   0.635E-02    0.500E-02
DAV:  21    -0.844415047875E+03   -0.22879E-02   -0.27228E-04  3066   0.456E-02    0.312E-02
DAV:  22    -0.844416171669E+03   -0.11238E-02   -0.15032E-04  3102   0.287E-02    0.255E-02
DAV:  23    -0.844416608427E+03   -0.43676E-03   -0.54548E-05  2553   0.192E-02    0.143E-02
DAV:  24    -0.844416897909E+03   -0.28948E-03   -0.15741E-05  1995   0.132E-02    0.976E-03
DAV:  25    -0.844417181004E+03   -0.28310E-03   -0.19125E-05  2166   0.145E-02    0.741E-03
DAV:  26    -0.844417239637E+03   -0.58632E-04   -0.92485E-06  1986   0.685E-03    0.544E-03
DAV:  27    -0.844417259898E+03   -0.20261E-04   -0.18984E-06  1995   0.354E-03    0.398E-03
DAV:  28    -0.844417278345E+03   -0.18447E-04   -0.15947E-06  1950   0.243E-03    0.180E-03
DAV:  29    -0.844417287914E+03   -0.95688E-05   -0.59478E-07  1977   0.190E-03 
   1 F= -.84441729E+03 E0= -.84446650E+03  d E =0.147648E+00