./iterations/neb0_image02_iter4_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     0.422757846580E+04    0.42276E+04   -0.23859E+05  2892   0.117E+03 
DAV:   2    -0.430864379624E+03   -0.46584E+04   -0.45581E+04  3375   0.329E+02 
DAV:   3    -0.942420073513E+03   -0.51156E+03   -0.50934E+03  3120   0.117E+02 
DAV:   4    -0.954614563116E+03   -0.12194E+02   -0.12150E+02  3174   0.195E+01 
DAV:   5    -0.955016558022E+03   -0.40199E+00   -0.40148E+00  3210   0.320E+00    0.813E+01
DAV:   6    -0.846713926916E+03    0.10830E+03   -0.47236E+02  3057   0.347E+01    0.377E+01
DAV:   7    -0.846221076211E+03    0.49285E+00   -0.14337E+01  3552   0.606E+00    0.146E+01
DAV:   8    -0.845879016556E+03    0.34206E+00   -0.95290E-01  3156   0.239E+00    0.595E+00
DAV:   9    -0.845831021413E+03    0.47995E-01   -0.42612E-01  3192   0.154E+00    0.883E-01
DAV:  10    -0.845835620148E+03   -0.45987E-02   -0.69897E-02  3120   0.595E-01    0.590E-01
DAV:  11    -0.845834331267E+03    0.12889E-02   -0.74674E-03  3111   0.216E-01    0.322E-01
DAV:  12    -0.845834378955E+03   -0.47688E-04   -0.67155E-03  3183   0.245E-01    0.118E-01
DAV:  13    -0.845837110343E+03   -0.27314E-02   -0.46682E-03  3120   0.225E-01    0.132E-01
DAV:  14    -0.845841267079E+03   -0.41567E-02   -0.32155E-03  3120   0.146E-01    0.881E-02
DAV:  15    -0.845845045322E+03   -0.37782E-02   -0.93556E-04  3084   0.797E-02    0.366E-02
DAV:  16    -0.845847937445E+03   -0.28921E-02   -0.49201E-04  3093   0.492E-02    0.381E-02
DAV:  17    -0.845849036088E+03   -0.10986E-02   -0.25817E-04  3102   0.393E-02    0.263E-02
DAV:  18    -0.845849695232E+03   -0.65914E-03   -0.33999E-05  2481   0.184E-02    0.172E-02
DAV:  19    -0.845850338967E+03   -0.64373E-03   -0.59812E-05  2751   0.237E-02    0.835E-03
DAV:  20    -0.845850448787E+03   -0.10982E-03   -0.37967E-05  2787   0.153E-02    0.753E-03
DAV:  21    -0.845850491852E+03   -0.43065E-04   -0.44507E-06  1986   0.486E-03    0.593E-03
DAV:  22    -0.845850513355E+03   -0.21503E-04   -0.21476E-06  2022   0.294E-03    0.313E-03
DAV:  23    -0.845850527767E+03   -0.14412E-04   -0.18117E-06  1986   0.299E-03    0.105E-03
DAV:  24    -0.845850530891E+03   -0.31232E-05   -0.58011E-07  2004   0.159E-03 
   1 F= -.84585053E+03 E0= -.84585440E+03  d E =0.115959E-01