iterations/neb0_image06_iter5_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 0.210485414904E+04 0.21049E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137444289982E+03 -0.22423E+04 -0.21521E+04 2160 0.262E+02
DAV: 3 -0.462198246502E+03 -0.32475E+03 -0.31963E+03 1896 0.108E+02
DAV: 4 -0.475264643062E+03 -0.13066E+02 -0.13018E+02 1976 0.228E+01
DAV: 5 -0.475719781329E+03 -0.45514E+00 -0.45490E+00 2120 0.377E+00 0.433E+01
DAV: 6 -0.447314648746E+03 0.28405E+02 -0.14876E+02 2048 0.322E+01 0.278E+01
DAV: 7 -0.444387310374E+03 0.29273E+01 -0.26906E+01 1840 0.119E+01 0.133E+01
DAV: 8 -0.445379760481E+03 -0.99245E+00 -0.25071E+01 2344 0.760E+00 0.113E+01
DAV: 9 -0.444277048612E+03 0.11027E+01 -0.55514E+00 2464 0.708E+00 0.705E+00
DAV: 10 -0.443695852526E+03 0.58120E+00 -0.16132E+00 1992 0.318E+00 0.378E+00
DAV: 11 -0.443577394957E+03 0.11846E+00 -0.39676E-01 2056 0.136E+00 0.170E+00
DAV: 12 -0.443604566170E+03 -0.27171E-01 -0.39011E-01 2112 0.994E-01 0.187E+00
DAV: 13 -0.443587958495E+03 0.16608E-01 -0.10920E-01 1976 0.553E-01 0.460E-01
DAV: 14 -0.443593444202E+03 -0.54857E-02 -0.17710E-02 1864 0.285E-01 0.382E-01
DAV: 15 -0.443595030837E+03 -0.15866E-02 -0.79655E-03 2288 0.193E-01 0.174E-01
DAV: 16 -0.443596779306E+03 -0.17485E-02 -0.13637E-03 1952 0.919E-02 0.134E-01
DAV: 17 -0.443599702622E+03 -0.29233E-02 -0.22538E-03 2216 0.953E-02 0.150E-01
DAV: 18 -0.443601238341E+03 -0.15357E-02 -0.72125E-04 1920 0.620E-02 0.447E-02
DAV: 19 -0.443603840966E+03 -0.26026E-02 -0.85037E-04 1848 0.573E-02 0.118E-01
DAV: 20 -0.443605131454E+03 -0.12905E-02 -0.59094E-04 1928 0.502E-02 0.249E-02
DAV: 21 -0.443605711505E+03 -0.58005E-03 -0.18936E-04 2016 0.289E-02 0.654E-02
DAV: 22 -0.443605963204E+03 -0.25170E-03 -0.11936E-04 1904 0.252E-02 0.304E-02
DAV: 23 -0.443606064356E+03 -0.10115E-03 -0.23148E-05 1528 0.130E-02 0.159E-02
DAV: 24 -0.443606143288E+03 -0.78932E-04 -0.27516E-05 1320 0.127E-02 0.688E-03
DAV: 25 -0.443606195721E+03 -0.52433E-04 -0.52455E-06 1040 0.619E-03 0.392E-03
DAV: 26 -0.443606229447E+03 -0.33725E-04 -0.52107E-06 1080 0.572E-03 0.566E-03
DAV: 27 -0.443606244313E+03 -0.14867E-04 -0.19556E-06 952 0.321E-03 0.247E-03
DAV: 28 -0.443606255708E+03 -0.11395E-04 -0.20616E-06 992 0.409E-03 0.217E-03
DAV: 29 -0.443606258300E+03 -0.25912E-05 -0.64677E-07 936 0.190E-03
1 F= -.44360626E+03 E0= -.44359478E+03 d E =-.344294E-01