iterations/neb0_image08_iter60_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 0.210258852159E+04 0.21026E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.141907042787E+03 -0.22445E+04 -0.21544E+04 2168 0.262E+02
DAV: 3 -0.466175723615E+03 -0.32427E+03 -0.32095E+03 1824 0.108E+02
DAV: 4 -0.478990053272E+03 -0.12814E+02 -0.12762E+02 1992 0.228E+01
DAV: 5 -0.479451536769E+03 -0.46148E+00 -0.46126E+00 2128 0.380E+00 0.427E+01
DAV: 6 -0.447503346596E+03 0.31948E+02 -0.14351E+02 2008 0.311E+01 0.271E+01
DAV: 7 -0.448439411894E+03 -0.93607E+00 -0.61818E+01 1872 0.109E+01 0.137E+01
DAV: 8 -0.446794588057E+03 0.16448E+01 -0.85809E+00 2512 0.798E+00 0.100E+01
DAV: 9 -0.446533084248E+03 0.26150E+00 -0.15960E+01 2096 0.450E+00 0.553E+00
DAV: 10 -0.445947620730E+03 0.58546E+00 -0.86845E-01 2200 0.430E+00 0.517E+00
DAV: 11 -0.445855572163E+03 0.92049E-01 -0.32604E+00 1904 0.199E+00 0.422E+00
DAV: 12 -0.445769828593E+03 0.85744E-01 -0.15600E+00 1952 0.113E+00 0.237E+00
DAV: 13 -0.445788828886E+03 -0.19000E-01 -0.78446E-01 1928 0.694E-01 0.265E+00
DAV: 14 -0.445749182944E+03 0.39646E-01 -0.30998E-01 1968 0.613E-01 0.572E-01
DAV: 15 -0.445756957313E+03 -0.77744E-02 -0.13317E-02 1944 0.256E-01 0.640E-01
DAV: 16 -0.445755669243E+03 0.12881E-02 -0.55289E-03 1936 0.127E-01 0.231E-01
DAV: 17 -0.445757487618E+03 -0.18184E-02 -0.21501E-03 1952 0.993E-02 0.119E-01
DAV: 18 -0.445759976613E+03 -0.24890E-02 -0.39828E-04 1888 0.638E-02 0.138E-01
DAV: 19 -0.445762315838E+03 -0.23392E-02 -0.70199E-04 2096 0.774E-02 0.195E-01
DAV: 20 -0.445763381792E+03 -0.10660E-02 -0.72856E-04 2000 0.664E-02 0.158E-01
DAV: 21 -0.445764465336E+03 -0.10835E-02 -0.37044E-04 1824 0.438E-02 0.625E-02
DAV: 22 -0.445764961227E+03 -0.49589E-03 -0.16548E-04 1856 0.342E-02 0.173E-02
DAV: 23 -0.445765248227E+03 -0.28700E-03 -0.67086E-05 1680 0.197E-02 0.240E-02
DAV: 24 -0.445765360257E+03 -0.11203E-03 -0.52120E-05 1720 0.199E-02 0.204E-02
DAV: 25 -0.445765415419E+03 -0.55161E-04 -0.92786E-06 960 0.836E-03 0.141E-02
DAV: 26 -0.445765491581E+03 -0.76162E-04 -0.64600E-06 1120 0.644E-03 0.225E-02
DAV: 27 -0.445765517719E+03 -0.26138E-04 -0.26995E-06 944 0.419E-03 0.423E-03
DAV: 28 -0.445765540012E+03 -0.22293E-04 -0.22184E-06 1000 0.403E-03 0.581E-03
DAV: 29 -0.445765547996E+03 -0.79840E-05 -0.85800E-07 936 0.224E-03
1 F= -.44576555E+03 E0= -.44573892E+03 d E =-.798845E-01