iterations/neb0_image08_iter49_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 0.210245062332E+04 0.21025E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142051284690E+03 -0.22445E+04 -0.21542E+04 2176 0.262E+02
DAV: 3 -0.466137283388E+03 -0.32409E+03 -0.32080E+03 1824 0.108E+02
DAV: 4 -0.478929386191E+03 -0.12792E+02 -0.12742E+02 2000 0.227E+01
DAV: 5 -0.479381858347E+03 -0.45247E+00 -0.45226E+00 2096 0.378E+00 0.427E+01
DAV: 6 -0.447623726734E+03 0.31758E+02 -0.14415E+02 2000 0.310E+01 0.271E+01
DAV: 7 -0.448292357230E+03 -0.66863E+00 -0.56590E+01 1840 0.111E+01 0.136E+01
DAV: 8 -0.446897647188E+03 0.13947E+01 -0.82275E+00 2448 0.792E+00 0.994E+00
DAV: 9 -0.446378258184E+03 0.51939E+00 -0.12804E+01 1984 0.453E+00 0.554E+00
DAV: 10 -0.446081586378E+03 0.29667E+00 -0.83650E-01 2192 0.439E+00 0.603E+00
DAV: 11 -0.445759942368E+03 0.32164E+00 -0.33795E+00 1920 0.209E+00 0.277E+00
DAV: 12 -0.445764363777E+03 -0.44214E-02 -0.90773E-01 1928 0.106E+00 0.226E+00
DAV: 13 -0.445777000706E+03 -0.12637E-01 -0.75803E-01 2008 0.690E-01 0.261E+00
DAV: 14 -0.445742143888E+03 0.34857E-01 -0.33656E-01 2072 0.576E-01 0.679E-01
DAV: 15 -0.445748137673E+03 -0.59938E-02 -0.17275E-02 1888 0.278E-01 0.372E-01
DAV: 16 -0.445748440021E+03 -0.30235E-03 -0.43887E-03 1896 0.125E-01 0.200E-01
DAV: 17 -0.445750076269E+03 -0.16362E-02 -0.15705E-03 2072 0.867E-02 0.145E-01
DAV: 18 -0.445752652023E+03 -0.25758E-02 -0.55015E-04 1896 0.705E-02 0.662E-02
DAV: 19 -0.445755104953E+03 -0.24529E-02 -0.67706E-04 1848 0.614E-02 0.209E-01
DAV: 20 -0.445755876694E+03 -0.77174E-03 -0.37403E-04 1896 0.497E-02 0.463E-02
DAV: 21 -0.445757419523E+03 -0.15428E-02 -0.29790E-04 1824 0.348E-02 0.892E-02
DAV: 22 -0.445758053279E+03 -0.63376E-03 -0.16056E-04 1776 0.264E-02 0.482E-02
DAV: 23 -0.445758309688E+03 -0.25641E-03 -0.59892E-05 1712 0.191E-02 0.218E-02
DAV: 24 -0.445758427333E+03 -0.11764E-03 -0.20013E-05 1216 0.125E-02 0.155E-02
DAV: 25 -0.445758463249E+03 -0.35917E-04 -0.10098E-05 968 0.797E-03 0.105E-02
DAV: 26 -0.445758513253E+03 -0.50004E-04 -0.35801E-06 1032 0.532E-03 0.130E-02
DAV: 27 -0.445758550017E+03 -0.36764E-04 -0.42423E-06 1072 0.616E-03 0.432E-03
DAV: 28 -0.445758563329E+03 -0.13312E-04 -0.12363E-06 936 0.322E-03 0.313E-03
DAV: 29 -0.445758571164E+03 -0.78343E-05 -0.92688E-07 952 0.234E-03
1 F= -.44575857E+03 E0= -.44573312E+03 d E =-.763545E-01