./iterations/neb0_image08_iter22_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 0.423490242715E+04 0.42349E+04 -0.23860E+05 2892 0.117E+03
DAV: 2 -0.426430091135E+03 -0.46613E+04 -0.45619E+04 3363 0.329E+02
DAV: 3 -0.942603864778E+03 -0.51617E+03 -0.51396E+03 3120 0.118E+02
DAV: 4 -0.954947635348E+03 -0.12344E+02 -0.12299E+02 3201 0.196E+01
DAV: 5 -0.955343994873E+03 -0.39636E+00 -0.39586E+00 3201 0.318E+00 0.811E+01
DAV: 6 -0.847320426239E+03 0.10802E+03 -0.47109E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846771338568E+03 0.54909E+00 -0.14740E+01 3543 0.641E+00 0.147E+01
DAV: 8 -0.846423331565E+03 0.34801E+00 -0.10182E+00 3165 0.271E+00 0.606E+00
DAV: 9 -0.846396484989E+03 0.26847E-01 -0.72622E-01 4101 0.346E+00 0.189E+00
DAV: 10 -0.846356918312E+03 0.39567E-01 -0.32987E-01 3309 0.138E+00 0.142E+00
DAV: 11 -0.846343653702E+03 0.13265E-01 -0.14736E-01 3219 0.878E-01 0.143E+00
DAV: 12 -0.846333970036E+03 0.96837E-02 -0.47447E-02 3795 0.660E-01 0.105E+00
DAV: 13 -0.846317731201E+03 0.16239E-01 -0.19646E-02 3408 0.501E-01 0.918E-01
DAV: 14 -0.846301763654E+03 0.15968E-01 -0.12264E-02 3867 0.430E-01 0.605E-01
DAV: 15 -0.846295928677E+03 0.58350E-02 -0.77199E-02 4569 0.705E-01 0.792E-01
DAV: 16 -0.846290223041E+03 0.57056E-02 -0.17336E-02 3318 0.360E-01 0.596E-01
DAV: 17 -0.846286431340E+03 0.37917E-02 -0.16258E-02 3336 0.322E-01 0.376E-01
DAV: 18 -0.846286733461E+03 -0.30212E-03 -0.10320E-02 3957 0.330E-01 0.340E-01
DAV: 19 -0.846286110352E+03 0.62311E-03 -0.11829E-02 3219 0.318E-01 0.240E-01
DAV: 20 -0.846287187726E+03 -0.10774E-02 -0.61101E-03 3507 0.176E-01 0.328E-01
DAV: 21 -0.846287969117E+03 -0.78139E-03 -0.16717E-03 3003 0.885E-02 0.339E-01
DAV: 22 -0.846289266044E+03 -0.12969E-02 -0.15850E-03 3615 0.164E-01 0.930E-02
DAV: 23 -0.846291531847E+03 -0.22658E-02 -0.10565E-03 3102 0.677E-02 0.662E-02
DAV: 24 -0.846293304869E+03 -0.17730E-02 -0.57939E-04 3210 0.545E-02 0.643E-02
DAV: 25 -0.846294875498E+03 -0.15706E-02 -0.69045E-04 3588 0.741E-02 0.912E-02
DAV: 26 -0.846295278087E+03 -0.40259E-03 -0.29979E-04 3228 0.439E-02 0.366E-02
DAV: 27 -0.846295699232E+03 -0.42114E-03 -0.16631E-04 3084 0.255E-02 0.246E-02
DAV: 28 -0.846296053096E+03 -0.35386E-03 -0.51777E-05 2436 0.209E-02 0.186E-02
DAV: 29 -0.846296234474E+03 -0.18138E-03 -0.21715E-05 2058 0.119E-02 0.107E-02
DAV: 30 -0.846296305695E+03 -0.71221E-04 -0.90763E-06 1986 0.778E-03 0.103E-02
DAV: 31 -0.846296347747E+03 -0.42052E-04 -0.77684E-06 1977 0.801E-03 0.576E-03
DAV: 32 -0.846296360301E+03 -0.12554E-04 -0.41833E-06 1986 0.482E-03 0.268E-03
DAV: 33 -0.846296367470E+03 -0.71689E-05 -0.14832E-06 1986 0.332E-03
1 F= -.84629637E+03 E0= -.84634399E+03 d E =0.142867E+00