iterations/neb0_image05_iter79_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     0.422744812324E+04    0.42274E+04   -0.23877E+05  2901   0.117E+03 
DAV:   2    -0.428622732727E+03   -0.46561E+04   -0.45595E+04  3366   0.329E+02 
DAV:   3    -0.942512647036E+03   -0.51389E+03   -0.51165E+03  3120   0.117E+02 
DAV:   4    -0.954821549570E+03   -0.12309E+02   -0.12262E+02  3192   0.196E+01 
DAV:   5    -0.955226787477E+03   -0.40524E+00   -0.40471E+00  3201   0.321E+00    0.811E+01
DAV:   6    -0.847208719358E+03    0.10802E+03   -0.46968E+02  3057   0.347E+01    0.375E+01
DAV:   7    -0.846726249051E+03    0.48247E+00   -0.14714E+01  3552   0.623E+00    0.146E+01
DAV:   8    -0.846358159252E+03    0.36809E+00   -0.17259E+00  3372   0.335E+00    0.617E+00
DAV:   9    -0.846267700029E+03    0.90459E-01   -0.65765E-01  3183   0.190E+00    0.115E+00
DAV:  10    -0.846249894148E+03    0.17806E-01   -0.15380E-01  3120   0.893E-01    0.786E-01
DAV:  11    -0.846242230908E+03    0.76632E-02   -0.27462E-02  3138   0.526E-01    0.589E-01
DAV:  12    -0.846238833755E+03    0.33972E-02   -0.12927E-02  3786   0.344E-01    0.436E-01
DAV:  13    -0.846231220070E+03    0.76137E-02   -0.41838E-03  3111   0.324E-01    0.159E-01
DAV:  14    -0.846227218115E+03    0.40020E-02   -0.30464E-03  3408   0.382E-01    0.295E-01
DAV:  15    -0.846228479797E+03   -0.12617E-02   -0.36253E-03  3093   0.132E-01    0.256E-01
DAV:  16    -0.846228288600E+03    0.19120E-03   -0.38106E-04  3075   0.453E-02    0.230E-01
DAV:  17    -0.846233108840E+03   -0.48202E-02   -0.79645E-03  2967   0.219E-01    0.316E-01
DAV:  18    -0.846234784063E+03   -0.16752E-02   -0.22525E-03  3147   0.123E-01    0.307E-01
DAV:  19    -0.846236388590E+03   -0.16045E-02   -0.90972E-04  3093   0.109E-01    0.239E-01
DAV:  20    -0.846239598259E+03   -0.32097E-02   -0.82352E-04  3471   0.122E-01    0.217E-01
DAV:  21    -0.846241765167E+03   -0.21669E-02   -0.47898E-04  3327   0.117E-01    0.174E-01
DAV:  22    -0.846243452155E+03   -0.16870E-02   -0.12358E-04  3831   0.147E-01    0.115E-01
DAV:  23    -0.846244103579E+03   -0.65142E-03   -0.49285E-04  3165   0.109E-01    0.689E-02
DAV:  24    -0.846244342468E+03   -0.23889E-03   -0.32131E-04  3129   0.692E-02    0.773E-02
DAV:  25    -0.846244347483E+03   -0.50147E-05   -0.14222E-04  3084   0.213E-02    0.920E-02
DAV:  26    -0.846244343542E+03    0.39408E-05   -0.25494E-06  2022   0.369E-03 
   1 F= -.84624434E+03 E0= -.84625835E+03  d E =0.420080E-01