./iterations/neb0_image03_iter36_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     0.423519879805E+04    0.42352E+04   -0.23866E+05  2892   0.117E+03 
DAV:   2    -0.429934847861E+03   -0.46651E+04   -0.45662E+04  3357   0.329E+02 
DAV:   3    -0.943006678931E+03   -0.51307E+03   -0.51085E+03  3120   0.117E+02 
DAV:   4    -0.955262317361E+03   -0.12256E+02   -0.12209E+02  3192   0.196E+01 
DAV:   5    -0.955665347783E+03   -0.40303E+00   -0.40250E+00  3210   0.321E+00    0.813E+01
DAV:   6    -0.847518246480E+03    0.10815E+03   -0.47083E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.847050233093E+03    0.46801E+00   -0.14438E+01  3534   0.609E+00    0.146E+01
DAV:   8    -0.846715522550E+03    0.33471E+00   -0.96595E-01  3156   0.238E+00    0.594E+00
DAV:   9    -0.846670324012E+03    0.45199E-01   -0.41183E-01  3183   0.154E+00    0.859E-01
DAV:  10    -0.846677265645E+03   -0.69416E-02   -0.74777E-02  3120   0.615E-01    0.604E-01
DAV:  11    -0.846677155931E+03    0.10971E-03   -0.67650E-03  3120   0.208E-01    0.347E-01
DAV:  12    -0.846678368808E+03   -0.12129E-02   -0.69182E-03  3075   0.244E-01    0.119E-01
DAV:  13    -0.846681835730E+03   -0.34669E-02   -0.45774E-03  3219   0.218E-01    0.136E-01
DAV:  14    -0.846686076254E+03   -0.42405E-02   -0.30908E-03  3093   0.147E-01    0.960E-02
DAV:  15    -0.846690635930E+03   -0.45597E-02   -0.11344E-03  3183   0.835E-02    0.352E-02
DAV:  16    -0.846693136037E+03   -0.25001E-02   -0.42790E-04  3084   0.498E-02    0.382E-02
DAV:  17    -0.846694202761E+03   -0.10667E-02   -0.25716E-04  3111   0.394E-02    0.271E-02
DAV:  18    -0.846694857796E+03   -0.65504E-03   -0.34121E-05  2580   0.204E-02    0.144E-02
DAV:  19    -0.846695461902E+03   -0.60411E-03   -0.41301E-05  2733   0.223E-02    0.713E-03
DAV:  20    -0.846695574278E+03   -0.11238E-03   -0.33084E-05  2742   0.145E-02    0.689E-03
DAV:  21    -0.846695616590E+03   -0.42312E-04   -0.32127E-06  1995   0.446E-03    0.588E-03
DAV:  22    -0.846695639588E+03   -0.22998E-04   -0.22532E-06  1986   0.338E-03    0.266E-03
DAV:  23    -0.846695650244E+03   -0.10656E-04   -0.15836E-06  1986   0.311E-03    0.120E-03
DAV:  24    -0.846695652869E+03   -0.26247E-05   -0.66217E-07  2013   0.183E-03 
   1 F= -.84669565E+03 E0= -.84669952E+03  d E =0.115959E-01