iterations/neb0_image08_iter70_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 0.210198980682E+04 0.21020E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.142068256508E+03 -0.22441E+04 -0.21538E+04 2168 0.262E+02
DAV: 3 -0.466235268946E+03 -0.32417E+03 -0.32087E+03 1824 0.108E+02
DAV: 4 -0.479057817190E+03 -0.12823E+02 -0.12771E+02 2000 0.228E+01
DAV: 5 -0.479510952127E+03 -0.45313E+00 -0.45291E+00 2088 0.378E+00 0.428E+01
DAV: 6 -0.447388498718E+03 0.32122E+02 -0.14366E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.448611306616E+03 -0.12228E+01 -0.65664E+01 1896 0.110E+01 0.137E+01
DAV: 8 -0.446604366629E+03 0.20069E+01 -0.85987E+00 2496 0.801E+00 0.100E+01
DAV: 9 -0.446723665339E+03 -0.11930E+00 -0.19484E+01 2056 0.452E+00 0.557E+00
DAV: 10 -0.445837781812E+03 0.88588E+00 -0.87839E-01 2248 0.431E+00 0.376E+00
DAV: 11 -0.445883893605E+03 -0.46112E-01 -0.22166E+00 1904 0.177E+00 0.392E+00
DAV: 12 -0.445811105900E+03 0.72788E-01 -0.15990E+00 2064 0.111E+00 0.271E+00
DAV: 13 -0.445846351058E+03 -0.35245E-01 -0.11890E+00 2120 0.791E-01 0.335E+00
DAV: 14 -0.445774889667E+03 0.71461E-01 -0.36929E-01 2032 0.668E-01 0.351E-01
DAV: 15 -0.445788860342E+03 -0.13971E-01 -0.25779E-02 2016 0.297E-01 0.925E-01
DAV: 16 -0.445785193349E+03 0.36670E-02 -0.14148E-02 1920 0.169E-01 0.128E-01
DAV: 17 -0.445787945328E+03 -0.27520E-02 -0.20373E-03 1864 0.100E-01 0.159E-01
DAV: 18 -0.445790340107E+03 -0.23948E-02 -0.14297E-03 2000 0.692E-02 0.240E-01
DAV: 19 -0.445792024314E+03 -0.16842E-02 -0.58016E-04 2016 0.712E-02 0.172E-01
DAV: 20 -0.445793933078E+03 -0.19088E-02 -0.10660E-03 2168 0.846E-02 0.115E-01
DAV: 21 -0.445794534751E+03 -0.60167E-03 -0.24763E-04 1864 0.387E-02 0.328E-02
DAV: 22 -0.445795221768E+03 -0.68702E-03 -0.25408E-04 1824 0.353E-02 0.569E-02
DAV: 23 -0.445795597401E+03 -0.37563E-03 -0.15416E-04 1896 0.244E-02 0.903E-02
DAV: 24 -0.445795656173E+03 -0.58772E-04 -0.68517E-05 1408 0.192E-02 0.152E-02
DAV: 25 -0.445795762645E+03 -0.10647E-03 -0.22553E-05 1352 0.120E-02 0.143E-02
DAV: 26 -0.445795813559E+03 -0.50914E-04 -0.73765E-06 1056 0.700E-03 0.106E-02
DAV: 27 -0.445795849811E+03 -0.36252E-04 -0.53934E-06 1048 0.602E-03 0.257E-03
DAV: 28 -0.445795866563E+03 -0.16753E-04 -0.14688E-06 936 0.301E-03 0.301E-03
DAV: 29 -0.445795880766E+03 -0.14202E-04 -0.11851E-06 984 0.230E-03 0.444E-03
DAV: 30 -0.445795886358E+03 -0.55922E-05 -0.36162E-07 936 0.140E-03
1 F= -.44579589E+03 E0= -.44576903E+03 d E =-.805759E-01