./neb0_image07_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.423814979294E+04 0.42381E+04 -0.23864E+05 2892 0.117E+03 DAV: 2 -0.429039688537E+03 -0.46672E+04 -0.45692E+04 3375 0.329E+02 DAV: 3 -0.942829287699E+03 -0.51379E+03 -0.51160E+03 3120 0.117E+02 DAV: 4 -0.955053101059E+03 -0.12224E+02 -0.12179E+02 3183 0.195E+01 DAV: 5 -0.955453882934E+03 -0.40078E+00 -0.40024E+00 3192 0.320E+00 0.812E+01 DAV: 6 -0.847537895085E+03 0.10792E+03 -0.47101E+02 3102 0.348E+01 0.376E+01 DAV: 7 -0.846833966128E+03 0.70393E+00 -0.14945E+01 3516 0.661E+00 0.149E+01 DAV: 8 -0.846572954816E+03 0.26101E+00 -0.25276E+00 3165 0.354E+00 0.600E+00 DAV: 9 -0.846455759843E+03 0.11719E+00 -0.69913E-01 3219 0.194E+00 0.141E+00 DAV: 10 -0.846468414304E+03 -0.12654E-01 -0.21354E-01 3534 0.139E+00 0.173E+00 DAV: 11 -0.846412026164E+03 0.56388E-01 -0.41742E-02 3498 0.814E-01 0.127E+00 DAV: 12 -0.846420337985E+03 -0.83118E-02 -0.20453E-01 3444 0.659E-01 0.129E+00 DAV: 13 -0.846396842865E+03 0.23495E-01 -0.31264E-02 3174 0.636E-01 0.696E-01 DAV: 14 -0.846393116640E+03 0.37262E-02 -0.35285E-02 3480 0.348E-01 0.429E-01 DAV: 15 -0.846391758994E+03 0.13576E-02 -0.37510E-02 3273 0.471E-01 0.614E-01 DAV: 16 -0.846388570284E+03 0.31887E-02 -0.97621E-03 3120 0.246E-01 0.462E-01 DAV: 17 -0.846388231061E+03 0.33922E-03 -0.59082E-03 3057 0.160E-01 0.355E-01 DAV: 18 -0.846388334394E+03 -0.10333E-03 -0.31834E-03 3282 0.127E-01 0.124E-01 DAV: 19 -0.846390373041E+03 -0.20386E-02 -0.20769E-03 3336 0.139E-01 0.131E-01 DAV: 20 -0.846393906811E+03 -0.35338E-02 -0.17764E-03 3048 0.922E-02 0.103E-01 DAV: 21 -0.846396864632E+03 -0.29578E-02 -0.79426E-04 3129 0.725E-02 0.810E-02 DAV: 22 -0.846398344260E+03 -0.14796E-02 -0.52285E-04 3093 0.472E-02 0.368E-02 DAV: 23 -0.846399405075E+03 -0.10608E-02 -0.10903E-04 3111 0.244E-02 0.328E-02 DAV: 24 -0.846400068975E+03 -0.66390E-03 -0.65656E-05 2445 0.185E-02 0.157E-02 DAV: 25 -0.846400526343E+03 -0.45737E-03 -0.31530E-05 2265 0.192E-02 0.893E-03 DAV: 26 -0.846400710793E+03 -0.18445E-03 -0.17939E-05 2058 0.115E-02 0.449E-03 DAV: 27 -0.846400776060E+03 -0.65267E-04 -0.53257E-06 1995 0.705E-03 0.380E-03 DAV: 28 -0.846400799136E+03 -0.23076E-04 -0.28225E-06 1977 0.357E-03 0.451E-03 DAV: 29 -0.846400808641E+03 -0.95048E-05 -0.11483E-06 1986 0.210E-03 1 F= -.84640081E+03 E0= -.84645000E+03 d E =0.147577E+00