iterations/neb0_image03_iter65_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 0.209810981374E+04 0.20981E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138651922350E+03 -0.22368E+04 -0.21460E+04 2160 0.262E+02
DAV: 3 -0.463784333763E+03 -0.32513E+03 -0.31943E+03 1904 0.108E+02
DAV: 4 -0.476784107863E+03 -0.13000E+02 -0.12953E+02 1976 0.228E+01
DAV: 5 -0.477243777219E+03 -0.45967E+00 -0.45947E+00 2112 0.378E+00 0.433E+01
DAV: 6 -0.453615241680E+03 0.23629E+02 -0.14827E+02 2048 0.319E+01 0.419E+01
DAV: 7 -0.453634362427E+03 -0.19121E-01 -0.83242E+01 1808 0.145E+01 0.218E+01
DAV: 8 -0.447081299131E+03 0.65531E+01 -0.98983E+00 1864 0.877E+00 0.137E+01
DAV: 9 -0.447168506352E+03 -0.87207E-01 -0.24131E+01 2016 0.111E+01 0.119E+01
DAV: 10 -0.446350539145E+03 0.81797E+00 -0.34677E+00 1816 0.344E+00 0.110E+01
DAV: 11 -0.445451726322E+03 0.89881E+00 -0.68688E-01 1960 0.207E+00 0.917E+00
DAV: 12 -0.445568295848E+03 -0.11657E+00 -0.10220E+01 2088 0.505E+00 0.118E+01
DAV: 13 -0.444333038439E+03 0.12353E+01 -0.13214E+00 2008 0.401E+00 0.555E+00
DAV: 14 -0.444186826245E+03 0.14621E+00 -0.62689E-01 1832 0.111E+00 0.183E+00
DAV: 15 -0.444188345692E+03 -0.15194E-02 -0.64868E-02 1896 0.769E-01 0.106E+00
DAV: 16 -0.444223564610E+03 -0.35219E-01 -0.39012E-02 1968 0.540E-01 0.207E+00
DAV: 17 -0.444208510699E+03 0.15054E-01 -0.12159E-02 1864 0.353E-01 0.475E-01
DAV: 18 -0.444216167473E+03 -0.76568E-02 -0.39951E-03 2008 0.179E-01 0.495E-01
DAV: 19 -0.444216877505E+03 -0.71003E-03 -0.42262E-03 1864 0.154E-01 0.140E-01
DAV: 20 -0.444218472878E+03 -0.15954E-02 -0.10012E-03 1984 0.904E-02 0.245E-01
DAV: 21 -0.444218749021E+03 -0.27614E-03 -0.48397E-04 1888 0.630E-02 0.105E-01
DAV: 22 -0.444219830591E+03 -0.10816E-02 -0.14592E-04 1848 0.331E-02 0.629E-02
DAV: 23 -0.444222250295E+03 -0.24197E-02 -0.60925E-04 1792 0.623E-02 0.181E-01
DAV: 24 -0.444222045266E+03 0.20503E-03 -0.13416E-04 1896 0.265E-02 0.129E-01
DAV: 25 -0.444222368638E+03 -0.32337E-03 -0.71415E-05 1696 0.275E-02 0.414E-02
DAV: 26 -0.444222800728E+03 -0.43209E-03 -0.64955E-05 1720 0.245E-02 0.573E-02
DAV: 27 -0.444222868843E+03 -0.68115E-04 -0.19649E-05 1272 0.115E-02 0.478E-02
DAV: 28 -0.444222902893E+03 -0.34051E-04 -0.95426E-06 1128 0.866E-03 0.221E-02
DAV: 29 -0.444222938389E+03 -0.35496E-04 -0.39285E-06 936 0.584E-03 0.658E-03
DAV: 30 -0.444222977356E+03 -0.38967E-04 -0.31730E-06 1056 0.432E-03 0.504E-03
DAV: 31 -0.444222989628E+03 -0.12272E-04 -0.15153E-06 936 0.394E-03 0.734E-03
DAV: 32 -0.444222996195E+03 -0.65670E-05 -0.21471E-06 944 0.380E-03
1 F= -.44422300E+03 E0= -.44421228E+03 d E =-.321409E-01