./iterations/neb0_image09_iter11_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 0.423514130952E+04 0.42351E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426675861878E+03 -0.46618E+04 -0.45615E+04 3357 0.329E+02
DAV: 3 -0.942759488964E+03 -0.51608E+03 -0.51386E+03 3120 0.118E+02
DAV: 4 -0.955128653429E+03 -0.12369E+02 -0.12324E+02 3192 0.196E+01
DAV: 5 -0.955536643832E+03 -0.40799E+00 -0.40748E+00 3210 0.323E+00 0.812E+01
DAV: 6 -0.847508384709E+03 0.10803E+03 -0.47126E+02 3093 0.348E+01 0.376E+01
DAV: 7 -0.846891123179E+03 0.61726E+00 -0.14803E+01 3516 0.649E+00 0.148E+01
DAV: 8 -0.846574323017E+03 0.31680E+00 -0.15952E+00 3183 0.328E+00 0.627E+00
DAV: 9 -0.846582854567E+03 -0.85316E-02 -0.12311E+00 3921 0.318E+00 0.224E+00
DAV: 10 -0.846492183362E+03 0.90671E-01 -0.34930E-01 3426 0.146E+00 0.151E+00
DAV: 11 -0.846439376182E+03 0.52807E-01 -0.14674E-01 3300 0.125E+00 0.108E+00
DAV: 12 -0.846423322963E+03 0.16053E-01 -0.12712E-01 3309 0.759E-01 0.106E+00
DAV: 13 -0.846419742201E+03 0.35808E-02 -0.41960E-02 3777 0.534E-01 0.814E-01
DAV: 14 -0.846403296171E+03 0.16446E-01 -0.66742E-02 3759 0.623E-01 0.574E-01
DAV: 15 -0.846398746700E+03 0.45495E-02 -0.18981E-02 3390 0.333E-01 0.367E-01
DAV: 16 -0.846397337471E+03 0.14092E-02 -0.98948E-03 3390 0.240E-01 0.297E-01
DAV: 17 -0.846396402351E+03 0.93512E-03 -0.50649E-03 3012 0.197E-01 0.193E-01
DAV: 18 -0.846398451494E+03 -0.20491E-02 -0.55023E-03 3174 0.156E-01 0.196E-01
DAV: 19 -0.846400398461E+03 -0.19470E-02 -0.60258E-03 3390 0.120E-01 0.210E-01
DAV: 20 -0.846403396891E+03 -0.29984E-02 -0.16352E-03 3075 0.697E-02 0.799E-02
DAV: 21 -0.846406962794E+03 -0.35659E-02 -0.10137E-03 3102 0.750E-02 0.748E-02
DAV: 22 -0.846408163146E+03 -0.12004E-02 -0.44979E-04 3129 0.403E-02 0.317E-02
DAV: 23 -0.846409125051E+03 -0.96190E-03 -0.10898E-04 3003 0.221E-02 0.412E-02
DAV: 24 -0.846409681745E+03 -0.55669E-03 -0.93449E-05 2508 0.197E-02 0.977E-03
DAV: 25 -0.846410001359E+03 -0.31961E-03 -0.22414E-05 2112 0.137E-02 0.810E-03
DAV: 26 -0.846410116080E+03 -0.11472E-03 -0.12765E-05 2031 0.908E-03 0.951E-03
DAV: 27 -0.846410159025E+03 -0.42945E-04 -0.72025E-06 1977 0.523E-03 0.533E-03
DAV: 28 -0.846410183195E+03 -0.24169E-04 -0.35318E-06 1986 0.482E-03 0.298E-03
DAV: 29 -0.846410197819E+03 -0.14624E-04 -0.16567E-06 1959 0.268E-03 0.149E-03
DAV: 30 -0.846410202926E+03 -0.51068E-05 -0.56231E-07 1995 0.179E-03
1 F= -.84641020E+03 E0= -.84645827E+03 d E =0.144216E+00