./iterations/neb0_image07_iter62_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     0.423789427892E+04    0.42379E+04   -0.23864E+05  2892   0.117E+03 
DAV:   2    -0.428915521410E+03   -0.46668E+04   -0.45691E+04  3369   0.329E+02 
DAV:   3    -0.942804157382E+03   -0.51389E+03   -0.51166E+03  3120   0.117E+02 
DAV:   4    -0.955046778405E+03   -0.12243E+02   -0.12197E+02  3183   0.195E+01 
DAV:   5    -0.955447831355E+03   -0.40105E+00   -0.40052E+00  3201   0.320E+00    0.812E+01
DAV:   6    -0.847345419548E+03    0.10810E+03   -0.47068E+02  3066   0.347E+01    0.376E+01
DAV:   7    -0.846850089322E+03    0.49533E+00   -0.14526E+01  3543   0.608E+00    0.146E+01
DAV:   8    -0.846563132598E+03    0.28696E+00   -0.10211E+00  3426   0.305E+00    0.621E+00
DAV:   9    -0.846434784059E+03    0.12835E+00   -0.77577E-01  3741   0.246E+00    0.176E+00
DAV:  10    -0.846415986532E+03    0.18798E-01   -0.14755E-01  3381   0.103E+00    0.112E+00
DAV:  11    -0.846390848448E+03    0.25138E-01   -0.73153E-02  3291   0.824E-01    0.888E-01
DAV:  12    -0.846383022633E+03    0.78258E-02   -0.50670E-02  3444   0.460E-01    0.585E-01
DAV:  13    -0.846377105367E+03    0.59173E-02   -0.35143E-02  3363   0.366E-01    0.369E-01
DAV:  14    -0.846372955168E+03    0.41502E-02   -0.11619E-02  3264   0.303E-01    0.319E-01
DAV:  15    -0.846374328899E+03   -0.13737E-02   -0.24134E-02  3579   0.279E-01    0.590E-01
DAV:  16    -0.846372245401E+03    0.20835E-02   -0.30953E-02  3669   0.231E-01    0.437E-01
DAV:  17    -0.846374017312E+03   -0.17719E-02   -0.10776E-02  3381   0.187E-01    0.380E-01
DAV:  18    -0.846375701063E+03   -0.16838E-02   -0.37510E-03  3174   0.146E-01    0.831E-02
DAV:  19    -0.846379062496E+03   -0.33614E-02   -0.20810E-03  3183   0.132E-01    0.209E-01
DAV:  20    -0.846380979591E+03   -0.19171E-02   -0.10580E-03  3345   0.871E-02    0.522E-02
DAV:  21    -0.846382102937E+03   -0.11233E-02   -0.23844E-04  3147   0.549E-02    0.105E-01
DAV:  22    -0.846382916015E+03   -0.81308E-03   -0.14286E-04  3174   0.394E-02    0.732E-02
DAV:  23    -0.846383536166E+03   -0.62015E-03   -0.15210E-04  3192   0.304E-02    0.221E-02
DAV:  24    -0.846383875266E+03   -0.33910E-03   -0.31991E-05  2679   0.266E-02    0.127E-02
DAV:  25    -0.846384043461E+03   -0.16819E-03   -0.62770E-05  2967   0.194E-02    0.267E-02
DAV:  26    -0.846384103166E+03   -0.59704E-04   -0.88462E-06  2040   0.111E-02    0.139E-02
DAV:  27    -0.846384147108E+03   -0.43942E-04   -0.56291E-06  1968   0.981E-03    0.145E-02
DAV:  28    -0.846384156508E+03   -0.94004E-05   -0.64412E-06  1968   0.875E-03 
   1 F= -.84638416E+03 E0= -.84643028E+03  d E =0.138365E+00