./iterations/neb0_image09_iter52_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     0.423664274627E+04    0.42366E+04   -0.23863E+05  2892   0.117E+03 
DAV:   2    -0.427752990195E+03   -0.46644E+04   -0.45643E+04  3366   0.329E+02 
DAV:   3    -0.942942656795E+03   -0.51519E+03   -0.51302E+03  3120   0.118E+02 
DAV:   4    -0.955241222089E+03   -0.12299E+02   -0.12253E+02  3183   0.196E+01 
DAV:   5    -0.955645505725E+03   -0.40428E+00   -0.40375E+00  3192   0.321E+00    0.813E+01
DAV:   6    -0.847656127261E+03    0.10799E+03   -0.47143E+02  3075   0.348E+01    0.376E+01
DAV:   7    -0.847073129629E+03    0.58300E+00   -0.14698E+01  3507   0.630E+00    0.148E+01
DAV:   8    -0.846732208690E+03    0.34092E+00   -0.18071E+00  3219   0.361E+00    0.605E+00
DAV:   9    -0.846635878657E+03    0.96330E-01   -0.67259E-01  3201   0.197E+00    0.140E+00
DAV:  10    -0.846625516028E+03    0.10363E-01   -0.17353E-01  3354   0.121E+00    0.145E+00
DAV:  11    -0.846593139153E+03    0.32377E-01   -0.58567E-02  3660   0.839E-01    0.934E-01
DAV:  12    -0.846586712815E+03    0.64263E-02   -0.65105E-02  3489   0.550E-01    0.610E-01
DAV:  13    -0.846583903198E+03    0.28096E-02   -0.55618E-02  3561   0.671E-01    0.819E-01
DAV:  14    -0.846577095264E+03    0.68079E-02   -0.69760E-02  3561   0.491E-01    0.379E-01
DAV:  15    -0.846576035153E+03    0.10601E-02   -0.33956E-02  3057   0.491E-01    0.460E-01
DAV:  16    -0.846573318234E+03    0.27169E-02   -0.76724E-03  3192   0.188E-01    0.242E-01
DAV:  17    -0.846573838423E+03   -0.52019E-03   -0.36115E-03  3021   0.136E-01    0.136E-01
DAV:  18    -0.846575491175E+03   -0.16528E-02   -0.18209E-03  3201   0.126E-01    0.931E-02
DAV:  19    -0.846578426001E+03   -0.29348E-02   -0.18207E-03  3174   0.127E-01    0.954E-02
DAV:  20    -0.846581573219E+03   -0.31472E-02   -0.10394E-03  3066   0.775E-02    0.593E-02
DAV:  21    -0.846583517229E+03   -0.19440E-02   -0.45303E-04  3102   0.602E-02    0.540E-02
DAV:  22    -0.846584923731E+03   -0.14065E-02   -0.23872E-04  3084   0.342E-02    0.418E-02
DAV:  23    -0.846585974744E+03   -0.10510E-02   -0.11654E-04  2913   0.283E-02    0.170E-02
DAV:  24    -0.846586460484E+03   -0.48574E-03   -0.62537E-05  2760   0.225E-02    0.101E-02
DAV:  25    -0.846586774639E+03   -0.31416E-03   -0.26266E-05  2121   0.166E-02    0.932E-03
DAV:  26    -0.846586893069E+03   -0.11843E-03   -0.11913E-05  1977   0.863E-03    0.405E-03
DAV:  27    -0.846586939925E+03   -0.46856E-04   -0.53130E-06  1977   0.608E-03    0.277E-03
DAV:  28    -0.846586970160E+03   -0.30234E-04   -0.31709E-06  1959   0.469E-03    0.283E-03
DAV:  29    -0.846586974907E+03   -0.47471E-05   -0.12999E-06  2013   0.261E-03 
   1 F= -.84658697E+03 E0= -.84663699E+03  d E =0.150043E+00