iterations/neb0_image09_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     0.422399992813E+04    0.42240E+04   -0.23877E+05  2901   0.117E+03 
DAV:   2    -0.430375996482E+03   -0.46544E+04   -0.45559E+04  3366   0.329E+02 
DAV:   3    -0.943029597973E+03   -0.51265E+03   -0.51049E+03  3120   0.117E+02 
DAV:   4    -0.955253295226E+03   -0.12224E+02   -0.12179E+02  3183   0.195E+01 
DAV:   5    -0.955656149910E+03   -0.40285E+00   -0.40233E+00  3183   0.321E+00    0.813E+01
DAV:   6    -0.847629989226E+03    0.10803E+03   -0.47171E+02  3048   0.348E+01    0.376E+01
DAV:   7    -0.847084560124E+03    0.54543E+00   -0.14656E+01  3516   0.622E+00    0.147E+01
DAV:   8    -0.846737150412E+03    0.34741E+00   -0.16308E+00  3264   0.353E+00    0.608E+00
DAV:   9    -0.846642127692E+03    0.95023E-01   -0.67973E-01  3237   0.198E+00    0.136E+00
DAV:  10    -0.846627944773E+03    0.14183E-01   -0.16380E-01  3381   0.119E+00    0.142E+00
DAV:  11    -0.846602076403E+03    0.25868E-01   -0.10484E-01  3705   0.853E-01    0.106E+00
DAV:  12    -0.846598778239E+03    0.32982E-02   -0.97181E-02  3750   0.567E-01    0.701E-01
DAV:  13    -0.846597478002E+03    0.13002E-02   -0.14388E-01  3669   0.839E-01    0.107E+00
DAV:  14    -0.846582868626E+03    0.14609E-01   -0.82555E-02  3750   0.522E-01    0.318E-01
DAV:  15    -0.846583469804E+03   -0.60118E-03   -0.25898E-02  3048   0.452E-01    0.476E-01
DAV:  16    -0.846581133502E+03    0.23363E-02   -0.95366E-03  3273   0.228E-01    0.333E-01
DAV:  17    -0.846581167656E+03   -0.34154E-04   -0.41834E-03  3183   0.143E-01    0.195E-01
DAV:  18    -0.846582578139E+03   -0.14105E-02   -0.19110E-03  3282   0.104E-01    0.116E-01
DAV:  19    -0.846585452313E+03   -0.28742E-02   -0.20977E-03  3111   0.135E-01    0.850E-02
DAV:  20    -0.846588734472E+03   -0.32822E-02   -0.12392E-03  3066   0.802E-02    0.745E-02
DAV:  21    -0.846590540006E+03   -0.18055E-02   -0.56848E-04  3138   0.637E-02    0.512E-02
DAV:  22    -0.846592056612E+03   -0.15166E-02   -0.26186E-04  3084   0.350E-02    0.453E-02
DAV:  23    -0.846593139329E+03   -0.10827E-02   -0.10541E-04  2904   0.279E-02    0.220E-02
DAV:  24    -0.846593644805E+03   -0.50548E-03   -0.76795E-05  2787   0.251E-02    0.118E-02
DAV:  25    -0.846593918287E+03   -0.27348E-03   -0.31420E-05  2391   0.150E-02    0.113E-02
DAV:  26    -0.846594011424E+03   -0.93137E-04   -0.96585E-06  1995   0.826E-03    0.906E-03
DAV:  27    -0.846594054085E+03   -0.42661E-04   -0.66103E-06  1977   0.584E-03    0.394E-03
DAV:  28    -0.846594105650E+03   -0.51565E-04   -0.46718E-06  1941   0.577E-03    0.324E-03
DAV:  29    -0.846594111638E+03   -0.59885E-05   -0.20785E-06  2013   0.333E-03 
   1 F= -.84659411E+03 E0= -.84664400E+03  d E =0.149674E+00