iterations/neb0_image04_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 0.209254675616E+04 0.20925E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.137686223136E+03 -0.22302E+04 -0.21384E+04 2136 0.261E+02
DAV: 3 -0.464226819142E+03 -0.32654E+03 -0.32287E+03 1880 0.108E+02
DAV: 4 -0.476750799657E+03 -0.12524E+02 -0.12474E+02 1928 0.225E+01
DAV: 5 -0.477250815810E+03 -0.50002E+00 -0.49971E+00 2160 0.389E+00 0.432E+01
DAV: 6 -0.446616271387E+03 0.30635E+02 -0.14666E+02 2048 0.318E+01 0.335E+01
DAV: 7 -0.449931848399E+03 -0.33156E+01 -0.87273E+01 1856 0.155E+01 0.186E+01
DAV: 8 -0.443849610076E+03 0.60822E+01 -0.82422E+00 1976 0.105E+01 0.112E+01
DAV: 9 -0.452379023695E+03 -0.85294E+01 -0.46364E+01 2176 0.143E+01 0.356E+01
DAV: 10 -0.444065029014E+03 0.83140E+01 -0.17226E+01 1776 0.445E+00 0.103E+01
DAV: 11 -0.443965577163E+03 0.99452E-01 -0.71413E+00 1968 0.212E+00 0.133E+01
DAV: 12 -0.443371861633E+03 0.59372E+00 -0.38273E+00 1976 0.119E+00 0.758E+00
DAV: 13 -0.442972000898E+03 0.39986E+00 -0.44650E-01 2016 0.176E+00 0.516E+00
DAV: 14 -0.443209411613E+03 -0.23741E+00 -0.62125E+00 2160 0.284E+00 0.817E+00
DAV: 15 -0.442671382138E+03 0.53803E+00 -0.15167E+00 1864 0.156E+00 0.393E+00
DAV: 16 -0.442702794236E+03 -0.31412E-01 -0.28331E-01 2064 0.878E-01 0.233E+00
DAV: 17 -0.442722450375E+03 -0.19656E-01 -0.71828E-02 1824 0.488E-01 0.235E+00
DAV: 18 -0.442709451803E+03 0.12999E-01 -0.13195E-01 2072 0.301E-01 0.538E-01
DAV: 19 -0.442731105855E+03 -0.21654E-01 -0.83573E-03 1864 0.172E-01 0.245E-01
DAV: 20 -0.442734645330E+03 -0.35395E-02 -0.21416E-03 2072 0.118E-01 0.193E-01
DAV: 21 -0.442737165569E+03 -0.25202E-02 -0.29510E-03 1968 0.826E-02 0.219E-01
DAV: 22 -0.442738587027E+03 -0.14215E-02 -0.61437E-04 1936 0.472E-02 0.101E-01
DAV: 23 -0.442740914300E+03 -0.23273E-02 -0.43679E-04 1824 0.379E-02 0.533E-02
DAV: 24 -0.442742863555E+03 -0.19493E-02 -0.42479E-04 1792 0.316E-02 0.922E-02
DAV: 25 -0.442743745426E+03 -0.88187E-03 -0.32633E-04 1864 0.306E-02 0.339E-02
DAV: 26 -0.442744175547E+03 -0.43012E-03 -0.83331E-05 1528 0.160E-02 0.528E-02
DAV: 27 -0.442744300290E+03 -0.12474E-03 -0.64576E-05 1560 0.163E-02 0.157E-02
DAV: 28 -0.442744540813E+03 -0.24052E-03 -0.32413E-05 1360 0.141E-02 0.157E-02
DAV: 29 -0.442744603579E+03 -0.62766E-04 -0.10029E-05 1112 0.722E-03 0.228E-02
DAV: 30 -0.442744645016E+03 -0.41437E-04 -0.15772E-05 1072 0.873E-03 0.165E-02
DAV: 31 -0.442744667447E+03 -0.22431E-04 -0.12316E-05 984 0.539E-03 0.714E-03
DAV: 32 -0.442744675718E+03 -0.82707E-05 -0.45947E-06 928 0.444E-03
1 F= -.44274468E+03 E0= -.44272820E+03 d E =-.494212E-01