iterations/neb0_image08_iter2_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 0.210332338823E+04 0.21033E+04 -0.11616E+05 1704 0.105E+03
DAV: 2 -0.138277770667E+03 -0.22416E+04 -0.21528E+04 2144 0.262E+02
DAV: 3 -0.464889205335E+03 -0.32661E+03 -0.32301E+03 1872 0.108E+02
DAV: 4 -0.477475570136E+03 -0.12586E+02 -0.12536E+02 1944 0.226E+01
DAV: 5 -0.477951867471E+03 -0.47630E+00 -0.47601E+00 2120 0.381E+00 0.433E+01
DAV: 6 -0.446728254395E+03 0.31224E+02 -0.14559E+02 2016 0.315E+01 0.272E+01
DAV: 7 -0.445991697974E+03 0.73656E+00 -0.25078E+01 1960 0.117E+01 0.134E+01
DAV: 8 -0.446175819008E+03 -0.18412E+00 -0.70777E+00 2472 0.839E+00 0.981E+00
DAV: 9 -0.444282520272E+03 0.18933E+01 -0.23207E+00 2120 0.475E+00 0.314E+00
DAV: 10 -0.444291624147E+03 -0.91039E-02 -0.98071E-01 1912 0.259E+00 0.189E+00
DAV: 11 -0.444320903526E+03 -0.29279E-01 -0.40788E-01 1864 0.121E+00 0.222E+00
DAV: 12 -0.444415491405E+03 -0.94588E-01 -0.16861E+00 2328 0.113E+00 0.469E+00
DAV: 13 -0.444329751968E+03 0.85739E-01 -0.22934E+00 2488 0.142E+00 0.248E+00
DAV: 14 -0.444306823760E+03 0.22928E-01 -0.59239E-02 1896 0.560E-01 0.923E-01
DAV: 15 -0.444302339407E+03 0.44844E-02 -0.21531E-02 2008 0.302E-01 0.280E-01
DAV: 16 -0.444304320629E+03 -0.19812E-02 -0.57411E-03 1904 0.188E-01 0.264E-01
DAV: 17 -0.444306990574E+03 -0.26699E-02 -0.81966E-03 2136 0.175E-01 0.275E-01
DAV: 18 -0.444307569107E+03 -0.57853E-03 -0.15779E-03 1824 0.755E-02 0.122E-01
DAV: 19 -0.444309546129E+03 -0.19770E-02 -0.10898E-03 2184 0.710E-02 0.927E-02
DAV: 20 -0.444311571528E+03 -0.20254E-02 -0.79086E-04 1880 0.530E-02 0.508E-02
DAV: 21 -0.444313580256E+03 -0.20087E-02 -0.38726E-04 1760 0.395E-02 0.273E-02
DAV: 22 -0.444314401351E+03 -0.82110E-03 -0.21509E-04 1832 0.302E-02 0.283E-02
DAV: 23 -0.444314683355E+03 -0.28200E-03 -0.13475E-04 1832 0.226E-02 0.348E-02
DAV: 24 -0.444314874270E+03 -0.19092E-03 -0.83599E-05 1448 0.186E-02 0.264E-02
DAV: 25 -0.444314984394E+03 -0.11012E-03 -0.43667E-05 1712 0.144E-02 0.201E-02
DAV: 26 -0.444315011625E+03 -0.27231E-04 -0.63523E-06 944 0.709E-03 0.884E-03
DAV: 27 -0.444315038920E+03 -0.27295E-04 -0.73866E-06 1032 0.575E-03 0.311E-03
DAV: 28 -0.444315058792E+03 -0.19872E-04 -0.19446E-06 936 0.304E-03 0.762E-03
DAV: 29 -0.444315079283E+03 -0.20491E-04 -0.19835E-06 1040 0.248E-03 0.181E-03
DAV: 30 -0.444315084036E+03 -0.47528E-05 -0.48896E-07 928 0.182E-03
1 F= -.44431508E+03 E0= -.44429439E+03 d E =-.620852E-01