iterations/neb0_image03_iter50_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 0.209862275156E+04 0.20986E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139171481702E+03 -0.22378E+04 -0.21480E+04 2160 0.262E+02
DAV: 3 -0.464043658075E+03 -0.32487E+03 -0.31936E+03 1920 0.107E+02
DAV: 4 -0.476944315335E+03 -0.12901E+02 -0.12855E+02 1944 0.227E+01
DAV: 5 -0.477397304938E+03 -0.45299E+00 -0.45276E+00 2120 0.376E+00 0.432E+01
DAV: 6 -0.453080003162E+03 0.24317E+02 -0.14747E+02 2032 0.318E+01 0.423E+01
DAV: 7 -0.453863136534E+03 -0.78313E+00 -0.83522E+01 1800 0.145E+01 0.219E+01
DAV: 8 -0.447423657590E+03 0.64395E+01 -0.97396E+00 1872 0.849E+00 0.137E+01
DAV: 9 -0.446980231581E+03 0.44343E+00 -0.20282E+01 2008 0.110E+01 0.120E+01
DAV: 10 -0.446140256388E+03 0.83998E+00 -0.37593E+00 1832 0.345E+00 0.108E+01
DAV: 11 -0.445563615690E+03 0.57664E+00 -0.35625E-01 1936 0.188E+00 0.955E+00
DAV: 12 -0.444405118868E+03 0.11585E+01 -0.24483E+00 2048 0.408E+00 0.963E+00
DAV: 13 -0.444575561503E+03 -0.17044E+00 -0.10808E+01 1944 0.327E+00 0.584E+00
DAV: 14 -0.444177481204E+03 0.39808E+00 -0.25475E-01 1832 0.125E+00 0.267E+00
DAV: 15 -0.444162655956E+03 0.14825E-01 -0.45693E-01 1912 0.839E-01 0.282E+00
DAV: 16 -0.444173170044E+03 -0.10514E-01 -0.43226E-02 2024 0.536E-01 0.109E+00
DAV: 17 -0.444190739313E+03 -0.17569E-01 -0.11223E-02 1832 0.339E-01 0.227E+00
DAV: 18 -0.444164534768E+03 0.26205E-01 -0.49693E-03 1848 0.248E-01 0.638E-01
DAV: 19 -0.444180408128E+03 -0.15873E-01 -0.82821E-03 1992 0.229E-01 0.970E-01
DAV: 20 -0.444177453457E+03 0.29547E-02 -0.21025E-03 1824 0.131E-01 0.262E-01
DAV: 21 -0.444179985494E+03 -0.25320E-02 -0.14000E-03 1872 0.916E-02 0.230E-01
DAV: 22 -0.444181847928E+03 -0.18624E-02 -0.42415E-04 1880 0.622E-02 0.110E-01
DAV: 23 -0.444183238443E+03 -0.13905E-02 -0.31279E-04 1800 0.436E-02 0.122E-01
DAV: 24 -0.444183727810E+03 -0.48937E-03 -0.10854E-04 1808 0.250E-02 0.377E-02
DAV: 25 -0.444184096124E+03 -0.36831E-03 -0.50590E-05 1696 0.215E-02 0.428E-02
DAV: 26 -0.444184260805E+03 -0.16468E-03 -0.33128E-05 1608 0.133E-02 0.466E-02
DAV: 27 -0.444184328966E+03 -0.68161E-04 -0.75232E-06 1256 0.757E-03 0.151E-02
DAV: 28 -0.444184387087E+03 -0.58121E-04 -0.78893E-06 1304 0.745E-03 0.338E-03
DAV: 29 -0.444184398626E+03 -0.11539E-04 -0.10007E-06 936 0.292E-03 0.298E-03
DAV: 30 -0.444184426526E+03 -0.27899E-04 -0.23150E-06 1008 0.502E-03 0.132E-02
DAV: 31 -0.444184434157E+03 -0.76311E-05 -0.78091E-07 936 0.228E-03
1 F= -.44418443E+03 E0= -.44417268E+03 d E =-.352744E-01