iterations/neb0_image08_iter74_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     0.423709551570E+04    0.42371E+04   -0.23864E+05  2892   0.117E+03 
DAV:   2    -0.430061852647E+03   -0.46672E+04   -0.45686E+04  3378   0.329E+02 
DAV:   3    -0.943031406363E+03   -0.51297E+03   -0.51082E+03  3120   0.117E+02 
DAV:   4    -0.955200499161E+03   -0.12169E+02   -0.12124E+02  3183   0.195E+01 
DAV:   5    -0.955599219648E+03   -0.39872E+00   -0.39819E+00  3201   0.319E+00    0.813E+01
DAV:   6    -0.847571448929E+03    0.10803E+03   -0.47170E+02  3075   0.348E+01    0.376E+01
DAV:   7    -0.847000206085E+03    0.57124E+00   -0.14782E+01  3516   0.632E+00    0.148E+01
DAV:   8    -0.846665837821E+03    0.33437E+00   -0.16029E+00  3183   0.334E+00    0.603E+00
DAV:   9    -0.846591603062E+03    0.74235E-01   -0.74140E-01  3444   0.218E+00    0.151E+00
DAV:  10    -0.846550167390E+03    0.41436E-01   -0.16450E-01  3516   0.116E+00    0.159E+00
DAV:  11    -0.846522171745E+03    0.27996E-01   -0.74690E-02  3552   0.797E-01    0.102E+00
DAV:  12    -0.846517807905E+03    0.43638E-02   -0.11173E-01  3543   0.600E-01    0.785E-01
DAV:  13    -0.846514019677E+03    0.37882E-02   -0.72876E-02  3849   0.566E-01    0.748E-01
DAV:  14    -0.846511621658E+03    0.23980E-02   -0.60310E-02  3921   0.459E-01    0.592E-01
DAV:  15    -0.846506902429E+03    0.47192E-02   -0.49769E-02  3768   0.573E-01    0.580E-01
DAV:  16    -0.846502909771E+03    0.39927E-02   -0.23104E-02  3282   0.259E-01    0.292E-01
DAV:  17    -0.846503227038E+03   -0.31727E-03   -0.52813E-03  3021   0.177E-01    0.152E-01
DAV:  18    -0.846504473516E+03   -0.12465E-02   -0.20687E-03  3300   0.128E-01    0.107E-01
DAV:  19    -0.846507398685E+03   -0.29252E-02   -0.16234E-03  3066   0.115E-01    0.969E-02
DAV:  20    -0.846511227983E+03   -0.38293E-02   -0.12673E-03  3066   0.983E-02    0.615E-02
DAV:  21    -0.846513515778E+03   -0.22878E-02   -0.53145E-04  3093   0.529E-02    0.579E-02
DAV:  22    -0.846514453889E+03   -0.93811E-03   -0.82611E-05  3066   0.213E-02    0.373E-02
DAV:  23    -0.846515440931E+03   -0.98704E-03   -0.81404E-05  2814   0.226E-02    0.179E-02
DAV:  24    -0.846515980971E+03   -0.54004E-03   -0.37499E-05  2283   0.177E-02    0.112E-02
DAV:  25    -0.846516224740E+03   -0.24377E-03   -0.16846E-05  2004   0.102E-02    0.819E-03
DAV:  26    -0.846516355507E+03   -0.13077E-03   -0.71492E-06  1977   0.617E-03    0.559E-03
DAV:  27    -0.846516436829E+03   -0.81321E-04   -0.39290E-06  1968   0.661E-03    0.359E-03
DAV:  28    -0.846516475642E+03   -0.38814E-04   -0.49244E-06  1968   0.677E-03    0.322E-03
DAV:  29    -0.846516484489E+03   -0.88463E-05   -0.22901E-06  2004   0.355E-03 
   1 F= -.84651648E+03 E0= -.84656607E+03  d E =0.148753E+00