./iterations/neb0_image07_iter52_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 0.423807922273E+04 0.42381E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.427054713724E+03 -0.46651E+04 -0.45674E+04 3351 0.329E+02
DAV: 3 -0.942683555298E+03 -0.51563E+03 -0.51338E+03 3120 0.118E+02
DAV: 4 -0.955020846903E+03 -0.12337E+02 -0.12290E+02 3183 0.196E+01
DAV: 5 -0.955426022977E+03 -0.40518E+00 -0.40462E+00 3183 0.321E+00 0.812E+01
DAV: 6 -0.847374912313E+03 0.10805E+03 -0.47083E+02 3093 0.347E+01 0.376E+01
DAV: 7 -0.846819391427E+03 0.55552E+00 -0.14772E+01 3525 0.643E+00 0.147E+01
DAV: 8 -0.846469302768E+03 0.35009E+00 -0.10502E+00 3165 0.267E+00 0.606E+00
DAV: 9 -0.846474016745E+03 -0.47140E-02 -0.74367E-01 4164 0.361E+00 0.219E+00
DAV: 10 -0.846436604376E+03 0.37412E-01 -0.36816E-01 3336 0.161E+00 0.165E+00
DAV: 11 -0.846397210789E+03 0.39394E-01 -0.70016E-02 3183 0.808E-01 0.120E+00
DAV: 12 -0.846394869000E+03 0.23418E-02 -0.99102E-02 3588 0.696E-01 0.118E+00
DAV: 13 -0.846374281619E+03 0.20587E-01 -0.36321E-02 3570 0.565E-01 0.768E-01
DAV: 14 -0.846369400801E+03 0.48808E-02 -0.31992E-02 3552 0.534E-01 0.121E+00
DAV: 15 -0.846350948475E+03 0.18452E-01 -0.23939E-02 3858 0.628E-01 0.688E-01
DAV: 16 -0.846349618917E+03 0.13296E-02 -0.15192E-02 3273 0.309E-01 0.564E-01
DAV: 17 -0.846346902840E+03 0.27161E-02 -0.61401E-03 3093 0.216E-01 0.535E-01
DAV: 18 -0.846343270661E+03 0.36322E-02 -0.97673E-03 3138 0.283E-01 0.171E-01
DAV: 19 -0.846344333562E+03 -0.10629E-02 -0.56411E-03 3507 0.266E-01 0.246E-01
DAV: 20 -0.846345020903E+03 -0.68734E-03 -0.53561E-03 3246 0.157E-01 0.299E-01
DAV: 21 -0.846346459772E+03 -0.14389E-02 -0.52592E-03 3309 0.238E-01 0.117E-01
DAV: 22 -0.846348053513E+03 -0.15937E-02 -0.22794E-03 3102 0.107E-01 0.144E-01
DAV: 23 -0.846349058597E+03 -0.10051E-02 -0.51478E-04 3129 0.639E-02 0.826E-02
DAV: 24 -0.846350611710E+03 -0.15531E-02 -0.62580E-04 3678 0.805E-02 0.488E-02
DAV: 25 -0.846351869092E+03 -0.12574E-02 -0.49679E-04 3120 0.577E-02 0.886E-02
DAV: 26 -0.846352098025E+03 -0.22893E-03 -0.36978E-04 3318 0.556E-02 0.224E-02
DAV: 27 -0.846352545636E+03 -0.44761E-03 -0.85889E-05 3084 0.239E-02 0.228E-02
DAV: 28 -0.846352740304E+03 -0.19467E-03 -0.41130E-05 2418 0.160E-02 0.209E-02
DAV: 29 -0.846353072874E+03 -0.33257E-03 -0.23035E-05 2175 0.137E-02 0.154E-02
DAV: 30 -0.846353137687E+03 -0.64813E-04 -0.22533E-05 2031 0.130E-02 0.118E-02
DAV: 31 -0.846353182998E+03 -0.45311E-04 -0.14781E-05 1959 0.952E-03 0.574E-03
DAV: 32 -0.846353203035E+03 -0.20038E-04 -0.43094E-06 1995 0.492E-03 0.435E-03
DAV: 33 -0.846353206966E+03 -0.39307E-05 -0.17903E-06 2013 0.380E-03
1 F= -.84635321E+03 E0= -.84640080E+03 d E =0.142794E+00