iterations/neb0_image06_iter2_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 0.210925436969E+04 0.21093E+04 -0.11606E+05 1696 0.105E+03
DAV: 2 -0.134474247290E+03 -0.22437E+04 -0.21496E+04 2144 0.262E+02
DAV: 3 -0.461651632355E+03 -0.32718E+03 -0.32197E+03 1896 0.108E+02
DAV: 4 -0.474820411525E+03 -0.13169E+02 -0.13119E+02 1952 0.229E+01
DAV: 5 -0.475294321723E+03 -0.47391E+00 -0.47363E+00 2112 0.383E+00 0.435E+01
DAV: 6 -0.446177790096E+03 0.29117E+02 -0.15026E+02 2072 0.322E+01 0.277E+01
DAV: 7 -0.443248655491E+03 0.29291E+01 -0.23619E+01 1872 0.119E+01 0.132E+01
DAV: 8 -0.444558395326E+03 -0.13097E+01 -0.28546E+01 2328 0.792E+00 0.113E+01
DAV: 9 -0.442891466578E+03 0.16669E+01 -0.49480E+00 2544 0.709E+00 0.660E+00
DAV: 10 -0.442470822215E+03 0.42064E+00 -0.18668E+00 1968 0.306E+00 0.233E+00
DAV: 11 -0.442465958209E+03 0.48640E-02 -0.24057E-01 1904 0.121E+00 0.189E+00
DAV: 12 -0.442482706648E+03 -0.16748E-01 -0.57283E-01 2224 0.975E-01 0.206E+00
DAV: 13 -0.442457856278E+03 0.24850E-01 -0.21955E-01 1984 0.639E-01 0.723E-01
DAV: 14 -0.442460354237E+03 -0.24980E-02 -0.22707E-02 1848 0.295E-01 0.274E-01
DAV: 15 -0.442460180883E+03 0.17335E-03 -0.72954E-03 2064 0.163E-01 0.330E-01
DAV: 16 -0.442461402413E+03 -0.12215E-02 -0.52201E-03 2032 0.855E-02 0.213E-01
DAV: 17 -0.442463927585E+03 -0.25252E-02 -0.33018E-03 1976 0.888E-02 0.148E-01
DAV: 18 -0.442467949548E+03 -0.40220E-02 -0.24099E-03 1992 0.101E-01 0.171E-01
DAV: 19 -0.442473354527E+03 -0.54050E-02 -0.38628E-03 2016 0.105E-01 0.261E-01
DAV: 20 -0.442473354591E+03 -0.64199E-07 -0.45847E-04 1904 0.377E-02 0.264E-01
DAV: 21 -0.442473662599E+03 -0.30801E-03 -0.27560E-05 1224 0.111E-02 0.272E-01
DAV: 22 -0.442472769981E+03 0.89262E-03 -0.10236E-03 2144 0.815E-02 0.226E-01
DAV: 23 -0.442473264527E+03 -0.49455E-03 -0.40220E-03 2024 0.148E-01 0.295E-01
DAV: 24 -0.442472713708E+03 0.55082E-03 -0.10967E-03 2024 0.628E-02 0.325E-01
DAV: 25 -0.442472057734E+03 0.65597E-03 -0.78970E-04 1960 0.523E-02 0.365E-01
DAV: 26 -0.442462596707E+03 0.94610E-02 -0.21077E-02 2144 0.239E-01 0.734E-01
DAV: 27 -0.442460161350E+03 0.24354E-02 -0.79491E-03 1944 0.113E-01 0.780E-01
DAV: 28 -0.442467978971E+03 -0.78176E-02 -0.57608E-02 2168 0.245E-01 0.552E-01
DAV: 29 -0.442468041884E+03 -0.62914E-04 -0.25310E-03 1808 0.833E-02 0.677E-01
DAV: 30 -0.442469405024E+03 -0.13631E-02 -0.22269E-03 2112 0.870E-02 0.445E-01
DAV: 31 -0.442470355843E+03 -0.95082E-03 -0.31547E-04 1776 0.391E-02 0.466E-01
DAV: 32 -0.442469363992E+03 0.99185E-03 -0.40690E-04 1880 0.253E-02 0.550E-01
DAV: 33 -0.442470220667E+03 -0.85668E-03 -0.83485E-04 1968 0.532E-02 0.431E-01
DAV: 34 -0.442472111706E+03 -0.18910E-02 -0.14985E-03 1992 0.744E-02 0.295E-01
DAV: 35 -0.442472990724E+03 -0.87902E-03 -0.15423E-04 1816 0.224E-02 0.277E-01
DAV: 36 -0.442473546116E+03 -0.55539E-03 -0.18124E-04 1856 0.280E-02 0.254E-01
DAV: 37 -0.442473708452E+03 -0.16234E-03 -0.23516E-05 1248 0.109E-02 0.253E-01
DAV: 38 -0.442473502228E+03 0.20622E-03 -0.40500E-05 1232 0.979E-03 0.272E-01
DAV: 39 -0.442473281995E+03 0.22023E-03 -0.25208E-05 1224 0.724E-03 0.286E-01
DAV: 40 -0.442473217295E+03 0.64700E-04 -0.18872E-06 912 0.282E-03 0.286E-01
DAV: 41 -0.442473203412E+03 0.13883E-04 -0.27045E-07 912 0.105E-03 0.286E-01
DAV: 42 -0.442473198923E+03 0.44892E-05 -0.56324E-07 912 0.215E-03
1 F= -.44247320E+03 E0= -.44246820E+03 d E =-.149977E-01