iterations/neb0_image07_iter34_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 0.210291413905E+04 0.21029E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138503029337E+03 -0.22414E+04 -0.21526E+04 2152 0.262E+02
DAV: 3 -0.464542325844E+03 -0.32604E+03 -0.32117E+03 1880 0.108E+02
DAV: 4 -0.477283382502E+03 -0.12741E+02 -0.12695E+02 1952 0.227E+01
DAV: 5 -0.477750032472E+03 -0.46665E+00 -0.46638E+00 2120 0.381E+00 0.430E+01
DAV: 6 -0.448443348509E+03 0.29307E+02 -0.14794E+02 2040 0.319E+01 0.272E+01
DAV: 7 -0.445742309537E+03 0.27010E+01 -0.24357E+01 1848 0.116E+01 0.126E+01
DAV: 8 -0.446013519587E+03 -0.27121E+00 -0.95027E+00 2000 0.627E+00 0.955E+00
DAV: 9 -0.446535531012E+03 -0.52201E+00 -0.74440E+00 2400 0.694E+00 0.686E+00
DAV: 10 -0.446138145431E+03 0.39739E+00 -0.11228E+00 1832 0.221E+00 0.572E+00
DAV: 11 -0.445290574267E+03 0.84757E+00 -0.88802E-01 2304 0.260E+00 0.328E+00
DAV: 12 -0.445204150026E+03 0.86424E-01 -0.10466E+00 1976 0.156E+00 0.840E-01
DAV: 13 -0.445227704936E+03 -0.23555E-01 -0.53261E-02 1888 0.548E-01 0.824E-01
DAV: 14 -0.445223373205E+03 0.43317E-02 -0.14435E-02 1912 0.265E-01 0.294E-01
DAV: 15 -0.445237283299E+03 -0.13910E-01 -0.21522E-02 2152 0.325E-01 0.104E+00
DAV: 16 -0.445228348443E+03 0.89349E-02 -0.44447E-03 1952 0.261E-01 0.393E-01
DAV: 17 -0.445231150751E+03 -0.28023E-02 -0.77931E-03 1976 0.235E-01 0.426E-01
DAV: 18 -0.445230617748E+03 0.53300E-03 -0.13677E-03 1896 0.968E-02 0.190E-01
DAV: 19 -0.445232705286E+03 -0.20875E-02 -0.21694E-03 2200 0.155E-01 0.145E-01
DAV: 20 -0.445234227537E+03 -0.15223E-02 -0.65321E-04 1768 0.588E-02 0.123E-01
DAV: 21 -0.445234485623E+03 -0.25809E-03 -0.26334E-04 1848 0.419E-02 0.757E-02
DAV: 22 -0.445235565906E+03 -0.10803E-02 -0.38166E-04 1896 0.476E-02 0.905E-02
DAV: 23 -0.445236348208E+03 -0.78230E-03 -0.29177E-04 1872 0.359E-02 0.147E-01
DAV: 24 -0.445236705575E+03 -0.35737E-03 -0.75310E-05 1576 0.268E-02 0.741E-02
DAV: 25 -0.445236965782E+03 -0.26021E-03 -0.20647E-04 1872 0.385E-02 0.313E-02
DAV: 26 -0.445237057357E+03 -0.91575E-04 -0.35622E-05 1592 0.177E-02 0.281E-02
DAV: 27 -0.445237091555E+03 -0.34198E-04 -0.79812E-06 1096 0.854E-03 0.433E-03
DAV: 28 -0.445237117527E+03 -0.25973E-04 -0.56912E-06 944 0.620E-03 0.114E-02
DAV: 29 -0.445237127761E+03 -0.10234E-04 -0.13996E-06 952 0.409E-03 0.477E-03
DAV: 30 -0.445237149589E+03 -0.21828E-04 -0.29713E-06 1032 0.435E-03 0.248E-03
DAV: 31 -0.445237155575E+03 -0.59855E-05 -0.73220E-07 936 0.201E-03
1 F= -.44523716E+03 E0= -.44522377E+03 d E =-.401592E-01