./iterations/neb0_image09_iter66_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     0.423638721287E+04    0.42364E+04   -0.23863E+05  2892   0.117E+03 
DAV:   2    -0.427786416773E+03   -0.46642E+04   -0.45641E+04  3366   0.329E+02 
DAV:   3    -0.942931447888E+03   -0.51515E+03   -0.51298E+03  3120   0.118E+02 
DAV:   4    -0.955227661633E+03   -0.12296E+02   -0.12251E+02  3183   0.196E+01 
DAV:   5    -0.955631963993E+03   -0.40430E+00   -0.40377E+00  3183   0.321E+00    0.812E+01
DAV:   6    -0.847639464908E+03    0.10799E+03   -0.47142E+02  3057   0.348E+01    0.376E+01
DAV:   7    -0.847083764939E+03    0.55570E+00   -0.14673E+01  3516   0.624E+00    0.148E+01
DAV:   8    -0.846739469279E+03    0.34430E+00   -0.17065E+00  3237   0.356E+00    0.607E+00
DAV:   9    -0.846648696401E+03    0.90773E-01   -0.68143E-01  3201   0.200E+00    0.148E+00
DAV:  10    -0.846639572412E+03    0.91240E-02   -0.18393E-01  3507   0.128E+00    0.145E+00
DAV:  11    -0.846601124813E+03    0.38448E-01   -0.67666E-02  3525   0.901E-01    0.945E-01
DAV:  12    -0.846598859068E+03    0.22657E-02   -0.84580E-02  3642   0.570E-01    0.685E-01
DAV:  13    -0.846598021212E+03    0.83786E-03   -0.12741E-01  3588   0.807E-01    0.106E+00
DAV:  14    -0.846584426940E+03    0.13594E-01   -0.89341E-02  3750   0.536E-01    0.352E-01
DAV:  15    -0.846584749444E+03   -0.32250E-03   -0.33636E-02  3048   0.488E-01    0.487E-01
DAV:  16    -0.846581906161E+03    0.28433E-02   -0.91400E-03  3201   0.207E-01    0.283E-01
DAV:  17    -0.846582353484E+03   -0.44732E-03   -0.30102E-03  3030   0.131E-01    0.193E-01
DAV:  18    -0.846583907634E+03   -0.15541E-02   -0.17772E-03  3228   0.118E-01    0.109E-01
DAV:  19    -0.846586879614E+03   -0.29720E-02   -0.16421E-03  3129   0.101E-01    0.681E-02
DAV:  20    -0.846590384053E+03   -0.35044E-02   -0.81370E-04  3075   0.739E-02    0.617E-02
DAV:  21    -0.846592088140E+03   -0.17041E-02   -0.33687E-04  3102   0.407E-02    0.407E-02
DAV:  22    -0.846593589329E+03   -0.15012E-02   -0.13803E-04  3084   0.244E-02    0.202E-02
DAV:  23    -0.846594557649E+03   -0.96832E-03   -0.48241E-05  2679   0.206E-02    0.118E-02
DAV:  24    -0.846594991902E+03   -0.43425E-03   -0.27392E-05  2265   0.162E-02    0.111E-02
DAV:  25    -0.846595220253E+03   -0.22835E-03   -0.13793E-05  1968   0.103E-02    0.517E-03
DAV:  26    -0.846595300220E+03   -0.79968E-04   -0.70675E-06  1986   0.736E-03    0.398E-03
DAV:  27    -0.846595340640E+03   -0.40420E-04   -0.51651E-06  1959   0.694E-03    0.379E-03
DAV:  28    -0.846595354552E+03   -0.13912E-04   -0.27929E-06  2004   0.370E-03    0.258E-03
DAV:  29    -0.846595357671E+03   -0.31190E-05   -0.83370E-07  2004   0.191E-03 
   1 F= -.84659536E+03 E0= -.84664573E+03  d E =0.151120E+00