iterations/neb0_image03_iter61_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 0.209764580933E+04 0.20976E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138757337182E+03 -0.22364E+04 -0.21457E+04 2160 0.262E+02
DAV: 3 -0.463682961150E+03 -0.32493E+03 -0.31917E+03 1896 0.108E+02
DAV: 4 -0.476817436854E+03 -0.13134E+02 -0.13088E+02 1960 0.229E+01
DAV: 5 -0.477282502357E+03 -0.46507E+00 -0.46484E+00 2120 0.381E+00 0.432E+01
DAV: 6 -0.453681343243E+03 0.23601E+02 -0.14830E+02 2024 0.320E+01 0.419E+01
DAV: 7 -0.453625562065E+03 0.55781E-01 -0.82944E+01 1808 0.146E+01 0.218E+01
DAV: 8 -0.447042209817E+03 0.65834E+01 -0.98239E+00 1864 0.872E+00 0.136E+01
DAV: 9 -0.447200398893E+03 -0.15819E+00 -0.23952E+01 2024 0.108E+01 0.119E+01
DAV: 10 -0.446372878048E+03 0.82752E+00 -0.32697E+00 1824 0.338E+00 0.109E+01
DAV: 11 -0.445499925486E+03 0.87295E+00 -0.57086E-01 1960 0.202E+00 0.913E+00
DAV: 12 -0.445269905237E+03 0.23002E+00 -0.63848E+00 2064 0.472E+00 0.115E+01
DAV: 13 -0.444422165934E+03 0.84774E+00 -0.12333E+00 1992 0.375E+00 0.553E+00
DAV: 14 -0.444212286641E+03 0.20988E+00 -0.25005E-01 1832 0.108E+00 0.258E+00
DAV: 15 -0.444184580139E+03 0.27707E-01 -0.26406E-01 1888 0.791E-01 0.118E+00
DAV: 16 -0.444213353268E+03 -0.28773E-01 -0.30920E-02 1976 0.565E-01 0.502E-01
DAV: 17 -0.444223780471E+03 -0.10427E-01 -0.12655E-02 1872 0.272E-01 0.156E+00
DAV: 18 -0.444211506470E+03 0.12274E-01 -0.37234E-03 1912 0.201E-01 0.572E-01
DAV: 19 -0.444216649309E+03 -0.51428E-02 -0.48578E-03 2016 0.209E-01 0.584E-01
DAV: 20 -0.444217860639E+03 -0.12113E-02 -0.22541E-03 1776 0.112E-01 0.104E-01
DAV: 21 -0.444219155108E+03 -0.12945E-02 -0.25616E-04 1944 0.529E-02 0.134E-01
DAV: 22 -0.444220043839E+03 -0.88873E-03 -0.44043E-04 1856 0.594E-02 0.389E-02
DAV: 23 -0.444221079189E+03 -0.10354E-02 -0.13726E-04 1848 0.347E-02 0.535E-02
DAV: 24 -0.444222163459E+03 -0.10843E-02 -0.20682E-04 1840 0.306E-02 0.407E-02
DAV: 25 -0.444222698219E+03 -0.53476E-03 -0.68926E-05 1720 0.231E-02 0.694E-02
DAV: 26 -0.444222862398E+03 -0.16418E-03 -0.31670E-05 1488 0.126E-02 0.652E-02
DAV: 27 -0.444223014380E+03 -0.15198E-03 -0.23349E-05 1432 0.116E-02 0.279E-02
DAV: 28 -0.444223091330E+03 -0.76950E-04 -0.61311E-06 1184 0.559E-03 0.960E-03
DAV: 29 -0.444223114330E+03 -0.23000E-04 -0.25752E-06 968 0.502E-03 0.135E-02
DAV: 30 -0.444223136198E+03 -0.21868E-04 -0.26983E-06 1008 0.441E-03 0.128E-02
DAV: 31 -0.444223142894E+03 -0.66963E-05 -0.14556E-06 936 0.379E-03
1 F= -.44422314E+03 E0= -.44421271E+03 d E =-.313064E-01