./iterations/neb0_image01_iter36_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.208844571564E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141215992686E+03 -0.22297E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461798748946E+03 -0.32058E+03 -0.31707E+03 1888 0.107E+02
DAV: 4 -0.475245744207E+03 -0.13447E+02 -0.13243E+02 1976 0.227E+01
DAV: 5 -0.475742375826E+03 -0.49663E+00 -0.49552E+00 2080 0.380E+00 0.435E+01
DAV: 6 -0.458981606147E+03 0.16761E+02 -0.24269E+02 2056 0.320E+01 0.410E+01
DAV: 7 -0.448466912076E+03 0.10515E+02 -0.41914E+01 1760 0.141E+01 0.186E+01
DAV: 8 -0.445895679931E+03 0.25712E+01 -0.68910E+00 1788 0.648E+00 0.115E+01
DAV: 9 -0.445991126977E+03 -0.95447E-01 -0.16917E+01 2064 0.793E+00 0.915E+00
DAV: 10 -0.445624068581E+03 0.36706E+00 -0.14926E+00 1872 0.221E+00 0.804E+00
DAV: 11 -0.444656797166E+03 0.96727E+00 -0.11524E+00 2032 0.221E+00 0.484E+00
DAV: 12 -0.444734563619E+03 -0.77766E-01 -0.50547E+00 2008 0.208E+00 0.118E+01
DAV: 13 -0.444424711185E+03 0.30985E+00 -0.80054E+00 1928 0.183E+00 0.367E+00
DAV: 14 -0.444438392551E+03 -0.13681E-01 -0.75979E-02 1832 0.606E-01 0.257E+00
DAV: 15 -0.444384667201E+03 0.53725E-01 -0.16048E-02 1960 0.424E-01 0.458E-01
DAV: 16 -0.444402976205E+03 -0.18309E-01 -0.85848E-03 1848 0.277E-01 0.530E-01
DAV: 17 -0.444408571981E+03 -0.55958E-02 -0.44485E-02 1952 0.238E-01 0.463E-01
DAV: 18 -0.444414526918E+03 -0.59549E-02 -0.22745E-03 1936 0.116E-01 0.677E-01
DAV: 19 -0.444410443061E+03 0.40839E-02 -0.10456E-03 1936 0.906E-02 0.277E-01
DAV: 20 -0.444413027290E+03 -0.25842E-02 -0.33056E-04 1896 0.452E-02 0.309E-01
DAV: 21 -0.444413307540E+03 -0.28025E-03 -0.32135E-04 2064 0.552E-02 0.100E-01
DAV: 22 -0.444414299410E+03 -0.99187E-03 -0.10872E-04 1832 0.248E-02 0.697E-02
DAV: 23 -0.444415171531E+03 -0.87212E-03 -0.16162E-04 2024 0.381E-02 0.220E-02
DAV: 24 -0.444415586268E+03 -0.41474E-03 -0.63978E-05 1896 0.213E-02 0.617E-02
DAV: 25 -0.444415950801E+03 -0.36453E-03 -0.54618E-05 1664 0.183E-02 0.410E-02
DAV: 26 -0.444416098925E+03 -0.14812E-03 -0.32098E-05 1520 0.131E-02 0.138E-02
DAV: 27 -0.444416149506E+03 -0.50581E-04 -0.68131E-06 1120 0.631E-03 0.901E-03
DAV: 28 -0.444416176855E+03 -0.27349E-04 -0.23962E-06 1016 0.337E-03 0.460E-03
DAV: 29 -0.444416199148E+03 -0.22293E-04 -0.17497E-06 1048 0.343E-03 0.218E-03
DAV: 30 -0.444416209563E+03 -0.10415E-04 -0.11986E-06 936 0.238E-03 0.424E-03
DAV: 31 -0.444416216279E+03 -0.67158E-05 -0.45818E-07 976 0.185E-03
1 F= -.44441622E+03 E0= -.44440911E+03 d E =-.213224E-01