iterations/neb0_image07_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 0.210001952753E+04 0.21000E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.139701421065E+03 -0.22397E+04 -0.21508E+04 2152 0.262E+02
DAV: 3 -0.464993380103E+03 -0.32529E+03 -0.32099E+03 1864 0.107E+02
DAV: 4 -0.477814842182E+03 -0.12821E+02 -0.12775E+02 1976 0.228E+01
DAV: 5 -0.478274629630E+03 -0.45979E+00 -0.45954E+00 2096 0.377E+00 0.427E+01
DAV: 6 -0.448438399596E+03 0.29836E+02 -0.14690E+02 2048 0.316E+01 0.270E+01
DAV: 7 -0.446020992880E+03 0.24174E+01 -0.24775E+01 1896 0.115E+01 0.125E+01
DAV: 8 -0.446698736610E+03 -0.67774E+00 -0.14393E+01 2152 0.636E+00 0.840E+00
DAV: 9 -0.445569927229E+03 0.11288E+01 -0.48891E+00 2208 0.444E+00 0.537E+00
DAV: 10 -0.445929647325E+03 -0.35972E+00 -0.69606E+00 2272 0.401E+00 0.476E+00
DAV: 11 -0.445491586350E+03 0.43806E+00 -0.37110E-01 1896 0.201E+00 0.284E+00
DAV: 12 -0.445456668615E+03 0.34918E-01 -0.11047E+00 2032 0.149E+00 0.261E+00
DAV: 13 -0.445436300011E+03 0.20369E-01 -0.22386E-01 1888 0.662E-01 0.756E-01
DAV: 14 -0.445451098186E+03 -0.14798E-01 -0.13369E-02 1824 0.267E-01 0.156E+00
DAV: 15 -0.445480671883E+03 -0.29574E-01 -0.80245E-02 1880 0.421E-01 0.273E+00
DAV: 16 -0.445443964658E+03 0.36707E-01 -0.44559E-01 2576 0.689E-01 0.114E+00
DAV: 17 -0.445448237261E+03 -0.42726E-02 -0.11545E-02 1864 0.267E-01 0.685E-01
DAV: 18 -0.445447380723E+03 0.85654E-03 -0.25475E-03 1904 0.106E-01 0.581E-01
DAV: 19 -0.445446801425E+03 0.57930E-03 -0.68044E-04 1992 0.607E-02 0.441E-01
DAV: 20 -0.445447766801E+03 -0.96538E-03 -0.22065E-03 1920 0.115E-01 0.180E-01
DAV: 21 -0.445449947781E+03 -0.21810E-02 -0.15039E-03 2296 0.104E-01 0.281E-01
DAV: 22 -0.445451001476E+03 -0.10537E-02 -0.57401E-04 1840 0.596E-02 0.328E-01
DAV: 23 -0.445452356413E+03 -0.13549E-02 -0.33349E-04 1848 0.407E-02 0.318E-01
DAV: 24 -0.445452436375E+03 -0.79962E-04 -0.59887E-04 2224 0.722E-02 0.497E-02
DAV: 25 -0.445452949897E+03 -0.51352E-03 -0.28925E-04 1840 0.424E-02 0.275E-02
DAV: 26 -0.445453090214E+03 -0.14032E-03 -0.45211E-05 1744 0.163E-02 0.101E-02
DAV: 27 -0.445453175221E+03 -0.85007E-04 -0.10649E-05 1104 0.812E-03 0.170E-02
DAV: 28 -0.445453262622E+03 -0.87401E-04 -0.97602E-06 1184 0.799E-03 0.713E-03
DAV: 29 -0.445453301010E+03 -0.38388E-04 -0.51147E-06 1056 0.540E-03 0.818E-03
DAV: 30 -0.445453310703E+03 -0.96925E-05 -0.22116E-06 936 0.465E-03
1 F= -.44545331E+03 E0= -.44543822E+03 d E =-.452620E-01