./iterations/neb0_image03_iter38_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     0.423534163458E+04    0.42353E+04   -0.23866E+05  2892   0.117E+03 
DAV:   2    -0.429942845585E+03   -0.46653E+04   -0.45663E+04  3357   0.329E+02 
DAV:   3    -0.943018730124E+03   -0.51308E+03   -0.51085E+03  3120   0.117E+02 
DAV:   4    -0.955272671461E+03   -0.12254E+02   -0.12208E+02  3192   0.196E+01 
DAV:   5    -0.955675635228E+03   -0.40296E+00   -0.40243E+00  3210   0.321E+00    0.813E+01
DAV:   6    -0.847530228792E+03    0.10815E+03   -0.47081E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.847065357000E+03    0.46487E+00   -0.14463E+01  3534   0.609E+00    0.146E+01
DAV:   8    -0.846731325565E+03    0.33403E+00   -0.96991E-01  3165   0.238E+00    0.594E+00
DAV:   9    -0.846686402574E+03    0.44923E-01   -0.41174E-01  3183   0.153E+00    0.858E-01
DAV:  10    -0.846693375204E+03   -0.69726E-02   -0.74667E-02  3111   0.613E-01    0.604E-01
DAV:  11    -0.846693317450E+03    0.57755E-04   -0.67650E-03  3129   0.208E-01    0.348E-01
DAV:  12    -0.846694589993E+03   -0.12725E-02   -0.69398E-03  3057   0.244E-01    0.119E-01
DAV:  13    -0.846698057053E+03   -0.34671E-02   -0.45449E-03  3219   0.217E-01    0.136E-01
DAV:  14    -0.846702257180E+03   -0.42001E-02   -0.30619E-03  3093   0.146E-01    0.964E-02
DAV:  15    -0.846706866926E+03   -0.46097E-02   -0.11601E-03  3174   0.844E-02    0.355E-02
DAV:  16    -0.846709344026E+03   -0.24771E-02   -0.42829E-04  3075   0.502E-02    0.384E-02
DAV:  17    -0.846710402111E+03   -0.10581E-02   -0.25955E-04  3111   0.395E-02    0.274E-02
DAV:  18    -0.846711054631E+03   -0.65252E-03   -0.34089E-05  2571   0.204E-02    0.145E-02
DAV:  19    -0.846711659728E+03   -0.60510E-03   -0.41521E-05  2742   0.224E-02    0.717E-03
DAV:  20    -0.846711772223E+03   -0.11250E-03   -0.33505E-05  2751   0.146E-02    0.694E-03
DAV:  21    -0.846711815306E+03   -0.43082E-04   -0.32129E-06  1995   0.446E-03    0.593E-03
DAV:  22    -0.846711838701E+03   -0.23396E-04   -0.22746E-06  1977   0.341E-03    0.266E-03
DAV:  23    -0.846711849521E+03   -0.10819E-04   -0.16116E-06  1986   0.315E-03    0.121E-03
DAV:  24    -0.846711852139E+03   -0.26184E-05   -0.68488E-07  2013   0.184E-03 
   1 F= -.84671185E+03 E0= -.84671572E+03  d E =0.115959E-01