iterations/neb0_image07_iter41_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 0.209960164793E+04 0.20996E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137880292899E+03 -0.22375E+04 -0.21447E+04 2144 0.262E+02
DAV: 3 -0.463982618420E+03 -0.32610E+03 -0.32091E+03 1888 0.108E+02
DAV: 4 -0.476908517969E+03 -0.12926E+02 -0.12879E+02 1952 0.228E+01
DAV: 5 -0.477388284761E+03 -0.47977E+00 -0.47953E+00 2128 0.384E+00 0.427E+01
DAV: 6 -0.448744124509E+03 0.28644E+02 -0.14875E+02 2072 0.319E+01 0.272E+01
DAV: 7 -0.445797398226E+03 0.29467E+01 -0.29180E+01 1880 0.122E+01 0.127E+01
DAV: 8 -0.445562546359E+03 0.23485E+00 -0.67835E+00 1920 0.623E+00 0.779E+00
DAV: 9 -0.446907896501E+03 -0.13454E+01 -0.25378E+01 2504 0.725E+00 0.656E+00
DAV: 10 -0.446090022109E+03 0.81787E+00 -0.11627E+00 1824 0.252E+00 0.550E+00
DAV: 11 -0.445351285128E+03 0.73874E+00 -0.10672E+00 2256 0.312E+00 0.291E+00
DAV: 12 -0.445461411000E+03 -0.11013E+00 -0.31201E+00 2080 0.222E+00 0.612E+00
DAV: 13 -0.445396602609E+03 0.64808E-01 -0.40729E+00 2288 0.220E+00 0.305E+00
DAV: 14 -0.445397399003E+03 -0.79639E-03 -0.12188E-01 1800 0.611E-01 0.290E+00
DAV: 15 -0.445329460389E+03 0.67939E-01 -0.98903E-03 2216 0.508E-01 0.173E+00
DAV: 16 -0.445304038449E+03 0.25422E-01 -0.13268E-01 2024 0.522E-01 0.630E-01
DAV: 17 -0.445311535025E+03 -0.74966E-02 -0.99191E-03 1928 0.247E-01 0.531E-01
DAV: 18 -0.445311377978E+03 0.15705E-03 -0.29407E-03 2104 0.185E-01 0.146E-01
DAV: 19 -0.445313014716E+03 -0.16367E-02 -0.92723E-04 1880 0.841E-02 0.133E-01
DAV: 20 -0.445314041647E+03 -0.10269E-02 -0.43338E-04 1864 0.460E-02 0.796E-02
DAV: 21 -0.445315255909E+03 -0.12143E-02 -0.49604E-04 1904 0.584E-02 0.987E-02
DAV: 22 -0.445316867574E+03 -0.16117E-02 -0.50535E-04 1864 0.667E-02 0.102E-01
DAV: 23 -0.445317024971E+03 -0.15740E-03 -0.16928E-04 1848 0.272E-02 0.791E-02
DAV: 24 -0.445317079902E+03 -0.54931E-04 -0.10836E-05 1016 0.117E-02 0.641E-02
DAV: 25 -0.445317507294E+03 -0.42739E-03 -0.14395E-04 1808 0.325E-02 0.350E-02
DAV: 26 -0.445317597800E+03 -0.90506E-04 -0.27961E-05 1560 0.154E-02 0.481E-02
DAV: 27 -0.445317635006E+03 -0.37206E-04 -0.32148E-05 1536 0.139E-02 0.395E-02
DAV: 28 -0.445317674750E+03 -0.39744E-04 -0.50334E-06 1032 0.676E-03 0.362E-02
DAV: 29 -0.445317708412E+03 -0.33662E-04 -0.68982E-06 1160 0.704E-03 0.228E-02
DAV: 30 -0.445317729929E+03 -0.21517E-04 -0.61214E-06 1080 0.914E-03 0.427E-03
DAV: 31 -0.445317740170E+03 -0.10241E-04 -0.34736E-06 944 0.493E-03 0.675E-03
DAV: 32 -0.445317740725E+03 -0.55569E-06 -0.10846E-06 936 0.274E-03
1 F= -.44531774E+03 E0= -.44530772E+03 d E =-.300758E-01