./iterations/neb0_image06_iter64_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 0.423999709966E+04 0.42400E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.427146118176E+03 -0.46671E+04 -0.45696E+04 3366 0.329E+02
DAV: 3 -0.942445310804E+03 -0.51530E+03 -0.51305E+03 3120 0.118E+02
DAV: 4 -0.954776085553E+03 -0.12331E+02 -0.12285E+02 3192 0.196E+01
DAV: 5 -0.955180532569E+03 -0.40445E+00 -0.40391E+00 3174 0.322E+00 0.812E+01
DAV: 6 -0.847122648197E+03 0.10806E+03 -0.47005E+02 3066 0.347E+01 0.375E+01
DAV: 7 -0.846616270210E+03 0.50638E+00 -0.15335E+01 3534 0.641E+00 0.147E+01
DAV: 8 -0.846274460529E+03 0.34181E+00 -0.11919E+00 3156 0.257E+00 0.587E+00
DAV: 9 -0.846207805772E+03 0.66655E-01 -0.52393E-01 3165 0.168E+00 0.988E-01
DAV: 10 -0.846202752367E+03 0.50534E-02 -0.62219E-02 3165 0.578E-01 0.679E-01
DAV: 11 -0.846196565681E+03 0.61867E-02 -0.16809E-02 3129 0.303E-01 0.344E-01
DAV: 12 -0.846192687228E+03 0.38785E-02 -0.37360E-03 3165 0.211E-01 0.137E-01
DAV: 13 -0.846192048288E+03 0.63894E-03 -0.49351E-03 3048 0.238E-01 0.125E-01
DAV: 14 -0.846196794960E+03 -0.47467E-02 -0.36181E-03 3057 0.164E-01 0.650E-02
DAV: 15 -0.846200654760E+03 -0.38598E-02 -0.96393E-04 3093 0.768E-02 0.468E-02
DAV: 16 -0.846202488828E+03 -0.18341E-02 -0.22669E-04 3102 0.328E-02 0.346E-02
DAV: 17 -0.846204346252E+03 -0.18574E-02 -0.95619E-05 2823 0.313E-02 0.169E-02
DAV: 18 -0.846204987343E+03 -0.64109E-03 -0.48307E-05 2787 0.188E-02 0.122E-02
DAV: 19 -0.846205475589E+03 -0.48825E-03 -0.27138E-05 2463 0.132E-02 0.544E-03
DAV: 20 -0.846205673759E+03 -0.19817E-03 -0.84732E-06 1977 0.110E-02 0.458E-03
DAV: 21 -0.846205768523E+03 -0.94764E-04 -0.12159E-05 2022 0.104E-02 0.388E-03
DAV: 22 -0.846205783897E+03 -0.15374E-04 -0.36191E-06 2004 0.436E-03 0.285E-03
DAV: 23 -0.846205786060E+03 -0.21633E-05 -0.11266E-06 2040 0.207E-03
1 F= -.84620579E+03 E0= -.84620967E+03 d E =0.116402E-01