./iterations/neb0_image01_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 0.209122096050E+04 0.20912E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.140695059031E+03 -0.22319E+04 -0.21442E+04 2144 0.261E+02
DAV: 3 -0.461465400956E+03 -0.32077E+03 -0.31732E+03 1880 0.107E+02
DAV: 4 -0.474690284322E+03 -0.13225E+02 -0.13015E+02 1976 0.226E+01
DAV: 5 -0.475217924410E+03 -0.52764E+00 -0.52345E+00 2088 0.387E+00 0.428E+01
DAV: 6 -0.446826498043E+03 0.28391E+02 -0.17777E+02 2008 0.300E+01 0.275E+01
DAV: 7 -0.444781239692E+03 0.20453E+01 -0.28646E+01 1696 0.106E+01 0.121E+01
DAV: 8 -0.444378169265E+03 0.40307E+00 -0.33352E+00 1960 0.472E+00 0.694E+00
DAV: 9 -0.446252556250E+03 -0.18744E+01 -0.20795E+01 2016 0.323E+00 0.140E+01
DAV: 10 -0.444138887756E+03 0.21137E+01 -0.13850E+00 2048 0.338E+00 0.413E+00
DAV: 11 -0.444207209081E+03 -0.68321E-01 -0.26889E-01 1784 0.118E+00 0.112E+00
DAV: 12 -0.444205656885E+03 0.15522E-02 -0.85479E-02 1952 0.533E-01 0.406E-01
DAV: 13 -0.444210336977E+03 -0.46801E-02 -0.10730E-02 1936 0.262E-01 0.255E-01
DAV: 14 -0.444212445376E+03 -0.21084E-02 -0.38570E-03 1976 0.164E-01 0.141E-01
DAV: 15 -0.444214364974E+03 -0.19196E-02 -0.95680E-04 1960 0.823E-02 0.175E-01
DAV: 16 -0.444215889831E+03 -0.15249E-02 -0.72682E-04 1984 0.775E-02 0.804E-02
DAV: 17 -0.444217361809E+03 -0.14720E-02 -0.23321E-04 1848 0.389E-02 0.468E-02
DAV: 18 -0.444218558870E+03 -0.11971E-02 -0.16841E-04 1856 0.326E-02 0.438E-02
DAV: 19 -0.444219282185E+03 -0.72332E-03 -0.85762E-05 1824 0.223E-02 0.182E-02
DAV: 20 -0.444220268137E+03 -0.98595E-03 -0.12818E-04 1784 0.250E-02 0.109E-02
DAV: 21 -0.444220528865E+03 -0.26073E-03 -0.52893E-05 1768 0.160E-02 0.118E-02
DAV: 22 -0.444220590619E+03 -0.61755E-04 -0.74691E-06 1144 0.860E-03 0.701E-03
DAV: 23 -0.444220693898E+03 -0.10328E-03 -0.33007E-05 1600 0.146E-02 0.736E-03
DAV: 24 -0.444220724226E+03 -0.30329E-04 -0.34961E-06 1024 0.493E-03 0.672E-03
DAV: 25 -0.444220764784E+03 -0.40557E-04 -0.52069E-06 1144 0.592E-03 0.267E-03
DAV: 26 -0.444220785352E+03 -0.20568E-04 -0.32157E-06 984 0.484E-03 0.227E-03
DAV: 27 -0.444220798569E+03 -0.13218E-04 -0.14188E-06 1000 0.266E-03 0.256E-03
DAV: 28 -0.444220808675E+03 -0.10106E-04 -0.53663E-07 1000 0.227E-03 0.153E-03
DAV: 29 -0.444220813177E+03 -0.45016E-05 -0.11374E-06 952 0.284E-03
1 F= -.44422081E+03 E0= -.44421373E+03 d E =-.212500E-01