iterations/neb0_image01_iter4_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 0.208981663905E+04 0.20898E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140826187540E+03 -0.22306E+04 -0.21430E+04 2144 0.261E+02
DAV: 3 -0.461336165011E+03 -0.32051E+03 -0.31701E+03 1872 0.107E+02
DAV: 4 -0.474857910324E+03 -0.13522E+02 -0.13315E+02 1984 0.228E+01
DAV: 5 -0.475373811725E+03 -0.51590E+00 -0.51408E+00 2104 0.387E+00 0.431E+01
DAV: 6 -0.452004686939E+03 0.23369E+02 -0.20184E+02 2016 0.310E+01 0.401E+01
DAV: 7 -0.453871302142E+03 -0.18666E+01 -0.12860E+02 1808 0.144E+01 0.228E+01
DAV: 8 -0.446246402944E+03 0.76249E+01 -0.97450E+00 1840 0.760E+00 0.141E+01
DAV: 9 -0.447788847304E+03 -0.15424E+01 -0.42698E+01 2096 0.107E+01 0.146E+01
DAV: 10 -0.446629739898E+03 0.11591E+01 -0.35096E+00 1872 0.328E+00 0.106E+01
DAV: 11 -0.446418991707E+03 0.21075E+00 -0.17773E-01 1984 0.897E-01 0.993E+00
DAV: 12 -0.445580692285E+03 0.83830E+00 -0.72715E-01 1960 0.174E+00 0.679E+00
DAV: 13 -0.444899444658E+03 0.68125E+00 -0.19568E+00 1848 0.281E+00 0.371E+00
DAV: 14 -0.444720274453E+03 0.17917E+00 -0.22709E-01 1856 0.111E+00 0.302E+00
DAV: 15 -0.444484386389E+03 0.23589E+00 -0.77698E-02 2264 0.111E+00 0.254E+00
DAV: 16 -0.444384492920E+03 0.99893E-01 -0.12035E+00 2072 0.117E+00 0.313E+00
DAV: 17 -0.444435151742E+03 -0.50659E-01 -0.69124E-01 1840 0.901E-01 0.266E+00
DAV: 18 -0.444396235177E+03 0.38917E-01 -0.23570E-02 1864 0.340E-01 0.254E+00
DAV: 19 -0.444324874126E+03 0.71361E-01 -0.35445E-01 2160 0.663E-01 0.697E-01
DAV: 20 -0.444348493200E+03 -0.23619E-01 -0.13661E-02 1832 0.229E-01 0.398E-01
DAV: 21 -0.444348396377E+03 0.96822E-04 -0.20276E-03 2008 0.932E-02 0.963E-02
DAV: 22 -0.444350106228E+03 -0.17099E-02 -0.63898E-03 1984 0.746E-02 0.452E-01
DAV: 23 -0.444349073423E+03 0.10328E-02 -0.16498E-03 1800 0.460E-02 0.245E-01
DAV: 24 -0.444350070335E+03 -0.99691E-03 -0.12950E-04 1824 0.337E-02 0.253E-01
DAV: 25 -0.444350067735E+03 0.26002E-05 -0.13884E-04 1936 0.497E-02 0.364E-02
DAV: 26 -0.444350733440E+03 -0.66570E-03 -0.96651E-05 1760 0.209E-02 0.285E-02
DAV: 27 -0.444350866634E+03 -0.13319E-03 -0.16935E-05 1352 0.124E-02 0.608E-02
DAV: 28 -0.444350942887E+03 -0.76253E-04 -0.25074E-05 1448 0.115E-02 0.589E-02
DAV: 29 -0.444350994815E+03 -0.51929E-04 -0.44028E-06 1104 0.607E-03 0.639E-02
DAV: 30 -0.444351016512E+03 -0.21697E-04 -0.63957E-06 1144 0.666E-03 0.486E-02
DAV: 31 -0.444351025532E+03 -0.90203E-05 -0.38864E-06 1056 0.686E-03
1 F= -.44435103E+03 E0= -.44434405E+03 d E =-.209369E-01