iterations/neb0_image02_iter27_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 0.208957682331E+04 0.20896E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.141813504645E+03 -0.22314E+04 -0.21439E+04 2144 0.261E+02
DAV: 3 -0.462191303283E+03 -0.32038E+03 -0.31636E+03 1912 0.107E+02
DAV: 4 -0.475845340420E+03 -0.13654E+02 -0.13506E+02 1936 0.228E+01
DAV: 5 -0.476357204158E+03 -0.51186E+00 -0.51150E+00 2152 0.390E+00 0.434E+01
DAV: 6 -0.456224759687E+03 0.20132E+02 -0.17380E+02 2040 0.319E+01 0.408E+01
DAV: 7 -0.452492546107E+03 0.37322E+01 -0.42651E+01 1776 0.141E+01 0.220E+01
DAV: 8 -0.445470654941E+03 0.70219E+01 -0.97946E+00 1840 0.797E+00 0.129E+01
DAV: 9 -0.448077378307E+03 -0.26067E+01 -0.59580E+01 2072 0.996E+00 0.195E+01
DAV: 10 -0.445843038714E+03 0.22343E+01 -0.18362E+01 1876 0.368E+00 0.984E+00
DAV: 11 -0.445720594056E+03 0.12244E+00 -0.24939E-01 1928 0.895E-01 0.948E+00
DAV: 12 -0.445532114641E+03 0.18848E+00 -0.12496E-01 1912 0.981E-01 0.865E+00
DAV: 13 -0.445379972403E+03 0.15214E+00 -0.76328E-01 1848 0.233E+00 0.632E+00
DAV: 14 -0.445232102295E+03 0.14787E+00 -0.51651E-01 1912 0.192E+00 0.630E+00
DAV: 15 -0.444813619144E+03 0.41848E+00 -0.23424E-01 1952 0.133E+00 0.460E+00
DAV: 16 -0.444680360544E+03 0.13326E+00 -0.83774E-02 1920 0.672E-01 0.416E+00
DAV: 17 -0.444524813070E+03 0.15555E+00 -0.17854E-02 2288 0.536E-01 0.362E+00
DAV: 18 -0.444546097913E+03 -0.21285E-01 -0.33839E+00 2320 0.178E+00 0.100E+01
DAV: 19 -0.444165431291E+03 0.38067E+00 -0.14764E+00 1864 0.815E-01 0.183E+00
DAV: 20 -0.444279656918E+03 -0.11423E+00 -0.23964E-02 1872 0.360E-01 0.991E-01
DAV: 21 -0.444303995245E+03 -0.24338E-01 -0.15267E-02 1888 0.300E-01 0.522E-01
DAV: 22 -0.444300185003E+03 0.38102E-02 -0.93334E-03 1984 0.314E-01 0.525E-01
DAV: 23 -0.444302836186E+03 -0.26512E-02 -0.31706E-03 1856 0.116E-01 0.401E-01
DAV: 24 -0.444303655813E+03 -0.81963E-03 -0.49939E-04 1920 0.523E-02 0.368E-01
DAV: 25 -0.444304164068E+03 -0.50826E-03 -0.23657E-04 1896 0.403E-02 0.222E-01
DAV: 26 -0.444306719474E+03 -0.25554E-02 -0.14292E-03 1880 0.104E-01 0.147E-01
DAV: 27 -0.444306915860E+03 -0.19639E-03 -0.31875E-04 1912 0.408E-02 0.121E-01
DAV: 28 -0.444306900577E+03 0.15283E-04 -0.40020E-05 1616 0.159E-02 0.985E-02
DAV: 29 -0.444307223376E+03 -0.32280E-03 -0.57109E-05 1792 0.190E-02 0.891E-02
DAV: 30 -0.444307491907E+03 -0.26853E-03 -0.58269E-05 1944 0.225E-02 0.454E-02
DAV: 31 -0.444307630184E+03 -0.13828E-03 -0.22173E-05 1328 0.133E-02 0.522E-02
DAV: 32 -0.444307741029E+03 -0.11085E-03 -0.55098E-05 1784 0.181E-02 0.648E-02
DAV: 33 -0.444307763423E+03 -0.22394E-04 -0.62038E-06 1016 0.875E-03 0.624E-02
DAV: 34 -0.444307772614E+03 -0.91914E-05 -0.15464E-05 1088 0.105E-02
1 F= -.44430777E+03 E0= -.44430135E+03 d E =-.192604E-01