iterations/neb0_image04_iter45_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 0.208723170938E+04 0.20872E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.141695444620E+03 -0.22289E+04 -0.21383E+04 2136 0.261E+02
DAV: 3 -0.465889160076E+03 -0.32419E+03 -0.32073E+03 1864 0.107E+02
DAV: 4 -0.478308045030E+03 -0.12419E+02 -0.12367E+02 1952 0.224E+01
DAV: 5 -0.478777566963E+03 -0.46952E+00 -0.46927E+00 2144 0.379E+00 0.429E+01
DAV: 6 -0.447651628282E+03 0.31126E+02 -0.14648E+02 2024 0.318E+01 0.377E+01
DAV: 7 -0.454332581741E+03 -0.66810E+01 -0.29375E+02 1920 0.139E+01 0.208E+01
DAV: 8 -0.448235891216E+03 0.60967E+01 -0.87666E+00 1792 0.782E+00 0.127E+01
DAV: 9 -0.446235271289E+03 0.20006E+01 -0.19631E+01 2000 0.117E+01 0.100E+01
DAV: 10 -0.445434264012E+03 0.80101E+00 -0.37373E+00 1872 0.357E+00 0.103E+01
DAV: 11 -0.444553598390E+03 0.88067E+00 -0.11697E+00 2040 0.215E+00 0.534E+00
DAV: 12 -0.445063758293E+03 -0.51016E+00 -0.87569E+00 2184 0.342E+00 0.716E+00
DAV: 13 -0.444385692803E+03 0.67807E+00 -0.85807E-01 2232 0.292E+00 0.579E+00
DAV: 14 -0.444236952017E+03 0.14874E+00 -0.20078E+00 1856 0.118E+00 0.226E+00
DAV: 15 -0.444348192963E+03 -0.11124E+00 -0.48793E-01 1952 0.811E-01 0.585E+00
DAV: 16 -0.444166012238E+03 0.18218E+00 -0.50408E-01 1928 0.608E-01 0.194E+00
DAV: 17 -0.444208483290E+03 -0.42471E-01 -0.80256E-02 1856 0.427E-01 0.656E-01
DAV: 18 -0.444229179692E+03 -0.20696E-01 -0.16708E-02 1976 0.242E-01 0.487E-01
DAV: 19 -0.444233588902E+03 -0.44092E-02 -0.41965E-03 1832 0.130E-01 0.365E-01
DAV: 20 -0.444234903344E+03 -0.13144E-02 -0.10569E-03 2056 0.619E-02 0.275E-01
DAV: 21 -0.444238782697E+03 -0.38794E-02 -0.27761E-03 1864 0.837E-02 0.243E-01
DAV: 22 -0.444239960036E+03 -0.11773E-02 -0.10026E-03 1880 0.614E-02 0.133E-01
DAV: 23 -0.444242052125E+03 -0.20921E-02 -0.46324E-04 1912 0.438E-02 0.204E-01
DAV: 24 -0.444242727384E+03 -0.67526E-03 -0.12175E-03 1960 0.565E-02 0.627E-02
DAV: 25 -0.444243463710E+03 -0.73633E-03 -0.33714E-04 1728 0.268E-02 0.789E-02
DAV: 26 -0.444243772820E+03 -0.30911E-03 -0.60802E-05 1648 0.169E-02 0.905E-02
DAV: 27 -0.444243945094E+03 -0.17227E-03 -0.22672E-04 1616 0.198E-02 0.282E-02
DAV: 28 -0.444244031323E+03 -0.86229E-04 -0.19817E-05 1336 0.943E-03 0.267E-02
DAV: 29 -0.444244061748E+03 -0.30425E-04 -0.12947E-05 968 0.634E-03 0.555E-03
DAV: 30 -0.444244102236E+03 -0.40488E-04 -0.11135E-05 1152 0.578E-03 0.163E-02
DAV: 31 -0.444244107491E+03 -0.52559E-05 -0.50553E-06 936 0.376E-03
1 F= -.44424411E+03 E0= -.44422502E+03 d E =-.572764E-01