./iterations/neb0_image09_iter14_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 0.423473864243E+04 0.42347E+04 -0.23860E+05 2892 0.117E+03
DAV: 2 -0.426635382121E+03 -0.46614E+04 -0.45608E+04 3357 0.329E+02
DAV: 3 -0.942727470883E+03 -0.51609E+03 -0.51387E+03 3120 0.118E+02
DAV: 4 -0.955101930601E+03 -0.12374E+02 -0.12329E+02 3192 0.196E+01
DAV: 5 -0.955509682745E+03 -0.40775E+00 -0.40722E+00 3192 0.323E+00 0.812E+01
DAV: 6 -0.847605846809E+03 0.10790E+03 -0.47089E+02 3066 0.348E+01 0.376E+01
DAV: 7 -0.846986835454E+03 0.61901E+00 -0.14656E+01 3516 0.637E+00 0.148E+01
DAV: 8 -0.846701004888E+03 0.28583E+00 -0.19769E+00 3174 0.331E+00 0.602E+00
DAV: 9 -0.846599445893E+03 0.10156E+00 -0.73933E-01 3570 0.219E+00 0.142E+00
DAV: 10 -0.846565985386E+03 0.33461E-01 -0.13860E-01 3246 0.961E-01 0.121E+00
DAV: 11 -0.846535232863E+03 0.30753E-01 -0.48446E-02 3552 0.865E-01 0.842E-01
DAV: 12 -0.846529961459E+03 0.52714E-02 -0.75254E-02 3660 0.731E-01 0.900E-01
DAV: 13 -0.846525145641E+03 0.48158E-02 -0.85792E-02 3579 0.522E-01 0.557E-01
DAV: 14 -0.846519813966E+03 0.53317E-02 -0.61553E-02 3372 0.504E-01 0.511E-01
DAV: 15 -0.846514276497E+03 0.55375E-02 -0.22388E-02 3390 0.295E-01 0.185E-01
DAV: 16 -0.846514225566E+03 0.50931E-04 -0.55129E-03 3021 0.245E-01 0.238E-01
DAV: 17 -0.846514490342E+03 -0.26478E-03 -0.49900E-03 3156 0.162E-01 0.132E-01
DAV: 18 -0.846516963877E+03 -0.24735E-02 -0.23802E-03 2985 0.134E-01 0.902E-02
DAV: 19 -0.846520354632E+03 -0.33908E-02 -0.17768E-03 3093 0.114E-01 0.823E-02
DAV: 20 -0.846523692159E+03 -0.33375E-02 -0.12193E-03 3102 0.101E-01 0.923E-02
DAV: 21 -0.846524352769E+03 -0.66061E-03 -0.50027E-04 3129 0.491E-02 0.599E-02
DAV: 22 -0.846525254087E+03 -0.90132E-03 -0.21322E-04 3048 0.414E-02 0.403E-02
DAV: 23 -0.846526388860E+03 -0.11348E-02 -0.23539E-04 3075 0.312E-02 0.259E-02
DAV: 24 -0.846527049763E+03 -0.66090E-03 -0.73212E-05 2832 0.232E-02 0.131E-02
DAV: 25 -0.846527440392E+03 -0.39063E-03 -0.39619E-05 2292 0.202E-02 0.155E-02
DAV: 26 -0.846527602727E+03 -0.16233E-03 -0.17874E-05 1977 0.103E-02 0.671E-03
DAV: 27 -0.846527650489E+03 -0.47762E-04 -0.58080E-06 1995 0.547E-03 0.470E-03
DAV: 28 -0.846527692114E+03 -0.41625E-04 -0.29017E-06 1950 0.438E-03 0.315E-03
DAV: 29 -0.846527721971E+03 -0.29857E-04 -0.25621E-06 1959 0.410E-03 0.167E-03
DAV: 30 -0.846527727512E+03 -0.55410E-05 -0.11885E-06 2004 0.259E-03
1 F= -.84652773E+03 E0= -.84657681E+03 d E =0.147237E+00