iterations/neb0_image03_iter39_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     0.423539320088E+04    0.42354E+04   -0.23866E+05  2892   0.117E+03 
DAV:   2    -0.429961435659E+03   -0.46654E+04   -0.45663E+04  3357   0.329E+02 
DAV:   3    -0.943029105859E+03   -0.51307E+03   -0.51084E+03  3120   0.117E+02 
DAV:   4    -0.955281914556E+03   -0.12253E+02   -0.12206E+02  3192   0.196E+01 
DAV:   5    -0.955685247823E+03   -0.40333E+00   -0.40281E+00  3219   0.321E+00    0.813E+01
DAV:   6    -0.847537450976E+03    0.10815E+03   -0.47081E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.847072800100E+03    0.46465E+00   -0.14459E+01  3534   0.609E+00    0.146E+01
DAV:   8    -0.846739488606E+03    0.33331E+00   -0.96652E-01  3165   0.238E+00    0.594E+00
DAV:   9    -0.846695124192E+03    0.44364E-01   -0.41128E-01  3183   0.153E+00    0.859E-01
DAV:  10    -0.846702136456E+03   -0.70123E-02   -0.74718E-02  3111   0.613E-01    0.602E-01
DAV:  11    -0.846702084329E+03    0.52127E-04   -0.67495E-03  3129   0.208E-01    0.347E-01
DAV:  12    -0.846703379813E+03   -0.12955E-02   -0.69712E-03  3039   0.243E-01    0.120E-01
DAV:  13    -0.846706840428E+03   -0.34606E-02   -0.44559E-03  3201   0.215E-01    0.136E-01
DAV:  14    -0.846711037676E+03   -0.41972E-02   -0.30640E-03  3093   0.146E-01    0.960E-02
DAV:  15    -0.846715720045E+03   -0.46824E-02   -0.12021E-03  3174   0.863E-02    0.361E-02
DAV:  16    -0.846718120027E+03   -0.24000E-02   -0.41440E-04  3084   0.500E-02    0.381E-02
DAV:  17    -0.846719165565E+03   -0.10455E-02   -0.25645E-04  3111   0.391E-02    0.272E-02
DAV:  18    -0.846719828226E+03   -0.66266E-03   -0.33234E-05  2526   0.203E-02    0.142E-02
DAV:  19    -0.846720426062E+03   -0.59784E-03   -0.41765E-05  2724   0.225E-02    0.715E-03
DAV:  20    -0.846720533878E+03   -0.10782E-03   -0.33119E-05  2751   0.144E-02    0.688E-03
DAV:  21    -0.846720576424E+03   -0.42546E-04   -0.31474E-06  1995   0.434E-03    0.585E-03
DAV:  22    -0.846720600197E+03   -0.23773E-04   -0.22505E-06  1995   0.341E-03    0.259E-03
DAV:  23    -0.846720611066E+03   -0.10869E-04   -0.15843E-06  1986   0.322E-03    0.115E-03
DAV:  24    -0.846720613658E+03   -0.25918E-05   -0.69962E-07  2013   0.186E-03 
   1 F= -.84672061E+03 E0= -.84672448E+03  d E =0.115959E-01