iterations/neb0_image03_iter37_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 0.423530382642E+04 0.42353E+04 -0.23866E+05 2892 0.117E+03 DAV: 2 -0.429935908739E+03 -0.46652E+04 -0.45663E+04 3357 0.329E+02 DAV: 3 -0.943012063480E+03 -0.51308E+03 -0.51085E+03 3120 0.117E+02 DAV: 4 -0.955266650432E+03 -0.12255E+02 -0.12208E+02 3192 0.196E+01 DAV: 5 -0.955669641837E+03 -0.40299E+00 -0.40246E+00 3210 0.321E+00 0.813E+01 DAV: 6 -0.847526642420E+03 0.10814E+03 -0.47081E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.847060657630E+03 0.46598E+00 -0.14451E+01 3534 0.609E+00 0.146E+01 DAV: 8 -0.846726296292E+03 0.33436E+00 -0.96732E-01 3165 0.238E+00 0.594E+00 DAV: 9 -0.846681282856E+03 0.45013E-01 -0.41187E-01 3183 0.153E+00 0.859E-01 DAV: 10 -0.846688242699E+03 -0.69598E-02 -0.74665E-02 3120 0.614E-01 0.604E-01 DAV: 11 -0.846688163747E+03 0.78951E-04 -0.67641E-03 3120 0.209E-01 0.347E-01 DAV: 12 -0.846689418381E+03 -0.12546E-02 -0.69309E-03 3066 0.244E-01 0.119E-01 DAV: 13 -0.846692896291E+03 -0.34779E-02 -0.45598E-03 3219 0.217E-01 0.136E-01 DAV: 14 -0.846697115569E+03 -0.42193E-02 -0.30661E-03 3093 0.146E-01 0.961E-02 DAV: 15 -0.846701716638E+03 -0.46011E-02 -0.11551E-03 3183 0.840E-02 0.355E-02 DAV: 16 -0.846704195372E+03 -0.24787E-02 -0.42549E-04 3075 0.500E-02 0.383E-02 DAV: 17 -0.846705253443E+03 -0.10581E-02 -0.26029E-04 3111 0.395E-02 0.274E-02 DAV: 18 -0.846705904053E+03 -0.65061E-03 -0.34107E-05 2562 0.204E-02 0.145E-02 DAV: 19 -0.846706510979E+03 -0.60693E-03 -0.42081E-05 2742 0.224E-02 0.717E-03 DAV: 20 -0.846706622515E+03 -0.11154E-03 -0.33419E-05 2751 0.145E-02 0.696E-03 DAV: 21 -0.846706665744E+03 -0.43229E-04 -0.32104E-06 1995 0.446E-03 0.590E-03 DAV: 22 -0.846706689356E+03 -0.23612E-04 -0.23135E-06 1977 0.343E-03 0.263E-03 DAV: 23 -0.846706700198E+03 -0.10842E-04 -0.15859E-06 1986 0.314E-03 0.120E-03 DAV: 24 -0.846706702829E+03 -0.26315E-05 -0.67997E-07 2013 0.185E-03 1 F= -.84670670E+03 E0= -.84671057E+03 d E =0.115959E-01