iterations/neb0_image03_iter15_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 0.209731245017E+04 0.20973E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137721316264E+03 -0.22350E+04 -0.21457E+04 2152 0.262E+02
DAV: 3 -0.464649822812E+03 -0.32693E+03 -0.32278E+03 1856 0.108E+02
DAV: 4 -0.477468186521E+03 -0.12818E+02 -0.12764E+02 1968 0.228E+01
DAV: 5 -0.477967595989E+03 -0.49941E+00 -0.49916E+00 2136 0.389E+00 0.432E+01
DAV: 6 -0.450597718607E+03 0.27370E+02 -0.14729E+02 2008 0.316E+01 0.407E+01
DAV: 7 -0.454377419271E+03 -0.37797E+01 -0.13538E+02 1816 0.149E+01 0.216E+01
DAV: 8 -0.447851987684E+03 0.65254E+01 -0.94914E+00 1880 0.936E+00 0.136E+01
DAV: 9 -0.446211825368E+03 0.16402E+01 -0.19478E+01 2128 0.123E+01 0.122E+01
DAV: 10 -0.445415601499E+03 0.79622E+00 -0.41722E+00 1880 0.367E+00 0.112E+01
DAV: 11 -0.444835797925E+03 0.57980E+00 -0.55681E-01 2056 0.187E+00 0.100E+01
DAV: 12 -0.444214207978E+03 0.62159E+00 -0.67053E+00 2120 0.345E+00 0.911E+00
DAV: 13 -0.444125705004E+03 0.88503E-01 -0.48714E+00 1896 0.289E+00 0.669E+00
DAV: 14 -0.443773518713E+03 0.35219E+00 -0.22685E+00 1912 0.147E+00 0.324E+00
DAV: 15 -0.443770805125E+03 0.27136E-02 -0.12897E-01 1888 0.655E-01 0.117E+00
DAV: 16 -0.443815164147E+03 -0.44359E-01 -0.15699E-01 1888 0.400E-01 0.364E+00
DAV: 17 -0.443770569700E+03 0.44594E-01 -0.37338E-01 2352 0.627E-01 0.177E+00
DAV: 18 -0.443780337346E+03 -0.97676E-02 -0.14803E-02 1856 0.233E-01 0.791E-01
DAV: 19 -0.443783274727E+03 -0.29374E-02 -0.34217E-03 2072 0.155E-01 0.869E-01
DAV: 20 -0.443783258853E+03 0.15875E-04 -0.24093E-03 1904 0.147E-01 0.125E-01
DAV: 21 -0.443790676885E+03 -0.74180E-02 -0.16012E-03 1912 0.982E-02 0.446E-01
DAV: 22 -0.443790216415E+03 0.46047E-03 -0.82877E-04 2112 0.826E-02 0.918E-02
DAV: 23 -0.443793549832E+03 -0.33334E-02 -0.84241E-04 1848 0.555E-02 0.180E-01
DAV: 24 -0.443794394501E+03 -0.84467E-03 -0.24738E-04 1888 0.333E-02 0.492E-02
DAV: 25 -0.443795298628E+03 -0.90413E-03 -0.19697E-04 1864 0.332E-02 0.100E-01
DAV: 26 -0.443795370544E+03 -0.71915E-04 -0.26085E-05 1408 0.127E-02 0.644E-02
DAV: 27 -0.443795640285E+03 -0.26974E-03 -0.63274E-05 1576 0.166E-02 0.158E-02
DAV: 28 -0.443795818910E+03 -0.17863E-03 -0.17441E-05 1328 0.914E-03 0.675E-03
DAV: 29 -0.443795867138E+03 -0.48228E-04 -0.54946E-06 1104 0.551E-03 0.270E-02
DAV: 30 -0.443795895676E+03 -0.28537E-04 -0.56507E-06 1112 0.618E-03 0.398E-03
DAV: 31 -0.443795914785E+03 -0.19109E-04 -0.14817E-06 936 0.283E-03 0.565E-03
DAV: 32 -0.443795929180E+03 -0.14395E-04 -0.97344E-07 992 0.305E-03 0.765E-03
DAV: 33 -0.443795934751E+03 -0.55705E-05 -0.77472E-07 936 0.224E-03
1 F= -.44379593E+03 E0= -.44378577E+03 d E =-.304879E-01