iterations/neb0_image06_iter47_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 0.423985207445E+04 0.42399E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.428365711547E+03 -0.46682E+04 -0.45714E+04 3366 0.329E+02 DAV: 3 -0.942335696694E+03 -0.51397E+03 -0.51173E+03 3120 0.117E+02 DAV: 4 -0.954607436705E+03 -0.12272E+02 -0.12226E+02 3210 0.196E+01 DAV: 5 -0.954998117240E+03 -0.39068E+00 -0.39014E+00 3174 0.317E+00 0.811E+01 DAV: 6 -0.846996923314E+03 0.10800E+03 -0.47003E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846534530255E+03 0.46239E+00 -0.14562E+01 3543 0.607E+00 0.146E+01 DAV: 8 -0.846183472593E+03 0.35106E+00 -0.96221E-01 3165 0.234E+00 0.596E+00 DAV: 9 -0.846115226820E+03 0.68246E-01 -0.42398E-01 3174 0.148E+00 0.865E-01 DAV: 10 -0.846111145026E+03 0.40818E-02 -0.67676E-02 3129 0.580E-01 0.574E-01 DAV: 11 -0.846105260332E+03 0.58847E-02 -0.66570E-03 3129 0.227E-01 0.316E-01 DAV: 12 -0.846099827888E+03 0.54324E-02 -0.73830E-03 3093 0.272E-01 0.124E-01 DAV: 13 -0.846099697874E+03 0.13001E-03 -0.49639E-03 3084 0.237E-01 0.147E-01 DAV: 14 -0.846102905528E+03 -0.32077E-02 -0.33918E-03 3057 0.158E-01 0.101E-01 DAV: 15 -0.846108157494E+03 -0.52520E-02 -0.15340E-03 3129 0.123E-01 0.438E-02 DAV: 16 -0.846110323121E+03 -0.21656E-02 -0.56683E-04 3102 0.594E-02 0.382E-02 DAV: 17 -0.846111303875E+03 -0.98075E-03 -0.16349E-04 3120 0.275E-02 0.242E-02 DAV: 18 -0.846112364376E+03 -0.10605E-02 -0.43259E-05 2652 0.172E-02 0.109E-02 DAV: 19 -0.846112998798E+03 -0.63442E-03 -0.31859E-05 2472 0.186E-02 0.836E-03 DAV: 20 -0.846113124487E+03 -0.12569E-03 -0.29409E-05 2643 0.132E-02 0.663E-03 DAV: 21 -0.846113175095E+03 -0.50608E-04 -0.41468E-06 1977 0.603E-03 0.378E-03 DAV: 22 -0.846113231622E+03 -0.56527E-04 -0.36815E-06 1950 0.498E-03 0.201E-03 DAV: 23 -0.846113244131E+03 -0.12509E-04 -0.19519E-06 1986 0.366E-03 0.173E-03 DAV: 24 -0.846113247007E+03 -0.28759E-05 -0.11656E-06 1995 0.288E-03 1 F= -.84611325E+03 E0= -.84611721E+03 d E =0.118795E-01