./iterations/neb0_image07_iter61_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 0.423785091800E+04 0.42379E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.428900092406E+03 -0.46668E+04 -0.45691E+04 3369 0.329E+02 DAV: 3 -0.942798683718E+03 -0.51390E+03 -0.51167E+03 3120 0.117E+02 DAV: 4 -0.955042587490E+03 -0.12244E+02 -0.12198E+02 3183 0.195E+01 DAV: 5 -0.955443725514E+03 -0.40114E+00 -0.40061E+00 3201 0.320E+00 0.812E+01 DAV: 6 -0.847334138393E+03 0.10811E+03 -0.47061E+02 3066 0.347E+01 0.376E+01 DAV: 7 -0.846930954332E+03 0.40318E+00 -0.14483E+01 3543 0.641E+00 0.147E+01 DAV: 8 -0.846503665453E+03 0.42729E+00 -0.13920E+00 3579 0.326E+00 0.620E+00 DAV: 9 -0.846437273150E+03 0.66392E-01 -0.59660E-01 3165 0.173E+00 0.124E+00 DAV: 10 -0.846409996420E+03 0.27277E-01 -0.13976E-01 3111 0.803E-01 0.135E+00 DAV: 11 -0.846389376405E+03 0.20620E-01 -0.24085E-02 3129 0.408E-01 0.851E-01 DAV: 12 -0.846386863881E+03 0.25125E-02 -0.32210E-02 4056 0.540E-01 0.797E-01 DAV: 13 -0.846379346253E+03 0.75176E-02 -0.20606E-02 3138 0.372E-01 0.870E-01 DAV: 14 -0.846376606032E+03 0.27402E-02 -0.46834E-02 3651 0.580E-01 0.857E-01 DAV: 15 -0.846371328645E+03 0.52774E-02 -0.24865E-02 3165 0.366E-01 0.585E-01 DAV: 16 -0.846371730114E+03 -0.40147E-03 -0.60398E-03 3075 0.200E-01 0.658E-01 DAV: 17 -0.846369503123E+03 0.22270E-02 -0.34216E-03 3363 0.157E-01 0.460E-01 DAV: 18 -0.846370619113E+03 -0.11160E-02 -0.33326E-03 3174 0.204E-01 0.271E-01 DAV: 19 -0.846372889403E+03 -0.22703E-02 -0.38366E-03 3282 0.159E-01 0.188E-01 DAV: 20 -0.846374740220E+03 -0.18508E-02 -0.13216E-03 3111 0.928E-02 0.124E-01 DAV: 21 -0.846376251972E+03 -0.15118E-02 -0.53827E-04 3471 0.732E-02 0.127E-01 DAV: 22 -0.846378774458E+03 -0.25225E-02 -0.83229E-04 3219 0.844E-02 0.402E-02 DAV: 23 -0.846379564880E+03 -0.79042E-03 -0.36497E-04 3183 0.475E-02 0.465E-02 DAV: 24 -0.846380123164E+03 -0.55828E-03 -0.54265E-05 2913 0.223E-02 0.273E-02 DAV: 25 -0.846380835256E+03 -0.71209E-03 -0.12065E-04 2823 0.386E-02 0.420E-02 DAV: 26 -0.846381041921E+03 -0.20666E-03 -0.75461E-05 2976 0.338E-02 0.205E-02 DAV: 27 -0.846381106460E+03 -0.64539E-04 -0.48859E-05 2949 0.186E-02 0.124E-02 DAV: 28 -0.846381139255E+03 -0.32795E-04 -0.68785E-06 1977 0.724E-03 0.127E-02 DAV: 29 -0.846381187056E+03 -0.47800E-04 -0.97166E-06 1950 0.790E-03 0.113E-02 DAV: 30 -0.846381203181E+03 -0.16125E-04 -0.86813E-06 1995 0.646E-03 0.559E-03 DAV: 31 -0.846381209926E+03 -0.67449E-05 -0.19305E-06 1977 0.507E-03 1 F= -.84638121E+03 E0= -.84642796E+03 d E =0.140239E+00