./iterations/neb0_image04_iter34_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 0.423828904943E+04 0.42383E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.427382127325E+03 -0.46657E+04 -0.45705E+04 3357 0.329E+02
DAV: 3 -0.942611197684E+03 -0.51523E+03 -0.51297E+03 3120 0.118E+02
DAV: 4 -0.954951123548E+03 -0.12340E+02 -0.12294E+02 3183 0.196E+01
DAV: 5 -0.955357501334E+03 -0.40638E+00 -0.40582E+00 3201 0.321E+00 0.813E+01
DAV: 6 -0.846965471257E+03 0.10839E+03 -0.47106E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.846485530536E+03 0.47994E+00 -0.14514E+01 3561 0.612E+00 0.146E+01
DAV: 8 -0.846151696721E+03 0.33383E+00 -0.97750E-01 3165 0.239E+00 0.596E+00
DAV: 9 -0.846105677054E+03 0.46020E-01 -0.41624E-01 3192 0.153E+00 0.860E-01
DAV: 10 -0.846111032276E+03 -0.53552E-02 -0.75233E-02 3111 0.615E-01 0.604E-01
DAV: 11 -0.846110012054E+03 0.10202E-02 -0.66320E-03 3111 0.209E-01 0.350E-01
DAV: 12 -0.846109968809E+03 0.43245E-04 -0.71635E-03 3057 0.249E-01 0.121E-01
DAV: 13 -0.846112617140E+03 -0.26483E-02 -0.45004E-03 3201 0.218E-01 0.137E-01
DAV: 14 -0.846116462271E+03 -0.38451E-02 -0.31632E-03 3075 0.150E-01 0.979E-02
DAV: 15 -0.846121030599E+03 -0.45683E-02 -0.11606E-03 3156 0.909E-02 0.360E-02
DAV: 16 -0.846123551318E+03 -0.25207E-02 -0.45693E-04 3102 0.524E-02 0.383E-02
DAV: 17 -0.846124695134E+03 -0.11438E-02 -0.25916E-04 3102 0.399E-02 0.264E-02
DAV: 18 -0.846125346043E+03 -0.65091E-03 -0.33695E-05 2490 0.200E-02 0.140E-02
DAV: 19 -0.846125958855E+03 -0.61281E-03 -0.41919E-05 2688 0.220E-02 0.710E-03
DAV: 20 -0.846126056559E+03 -0.97704E-04 -0.30085E-05 2670 0.134E-02 0.624E-03
DAV: 21 -0.846126105818E+03 -0.49259E-04 -0.31520E-06 1977 0.463E-03 0.531E-03
DAV: 22 -0.846126132908E+03 -0.27089E-04 -0.25033E-06 1995 0.367E-03 0.230E-03
DAV: 23 -0.846126141361E+03 -0.84534E-05 -0.15299E-06 1995 0.293E-03
1 F= -.84612614E+03 E0= -.84613001E+03 d E =0.115959E-01