iterations/neb0_image08_iter41_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 0.209420572831E+04 0.20942E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.143143826793E+03 -0.22373E+04 -0.21467E+04 2168 0.262E+02
DAV: 3 -0.465916642887E+03 -0.32277E+03 -0.31947E+03 1816 0.108E+02
DAV: 4 -0.478797093929E+03 -0.12880E+02 -0.12830E+02 2008 0.228E+01
DAV: 5 -0.479247806632E+03 -0.45071E+00 -0.45051E+00 2136 0.376E+00 0.427E+01
DAV: 6 -0.447506894767E+03 0.31741E+02 -0.14431E+02 2000 0.310E+01 0.271E+01
DAV: 7 -0.448230441428E+03 -0.72355E+00 -0.59144E+01 1848 0.112E+01 0.136E+01
DAV: 8 -0.446749270179E+03 0.14812E+01 -0.84330E+00 2464 0.791E+00 0.996E+00
DAV: 9 -0.446356234804E+03 0.39304E+00 -0.14510E+01 2088 0.455E+00 0.559E+00
DAV: 10 -0.445912093537E+03 0.44414E+00 -0.89810E-01 2224 0.441E+00 0.566E+00
DAV: 11 -0.445703478210E+03 0.20862E+00 -0.34923E+00 1944 0.209E+00 0.355E+00
DAV: 12 -0.445664718923E+03 0.38759E-01 -0.12637E+00 1928 0.110E+00 0.223E+00
DAV: 13 -0.445681983316E+03 -0.17264E-01 -0.74496E-01 2000 0.688E-01 0.259E+00
DAV: 14 -0.445644738199E+03 0.37245E-01 -0.27502E-01 2008 0.571E-01 0.451E-01
DAV: 15 -0.445653617969E+03 -0.88798E-02 -0.18255E-02 2016 0.274E-01 0.658E-01
DAV: 16 -0.445651944838E+03 0.16731E-02 -0.90721E-03 1888 0.139E-01 0.164E-01
DAV: 17 -0.445653777599E+03 -0.18328E-02 -0.19314E-03 2008 0.935E-02 0.113E-01
DAV: 18 -0.445656384467E+03 -0.26069E-02 -0.50171E-04 1896 0.704E-02 0.403E-02
DAV: 19 -0.445658652319E+03 -0.22679E-02 -0.72812E-04 1920 0.631E-02 0.183E-01
DAV: 20 -0.445659785805E+03 -0.11335E-02 -0.96416E-04 1992 0.610E-02 0.152E-01
DAV: 21 -0.445661115930E+03 -0.13301E-02 -0.37198E-04 1792 0.376E-02 0.499E-02
DAV: 22 -0.445661667364E+03 -0.55143E-03 -0.25445E-04 1872 0.337E-02 0.781E-02
DAV: 23 -0.445661881684E+03 -0.21432E-03 -0.75178E-05 1800 0.237E-02 0.468E-02
DAV: 24 -0.445661996985E+03 -0.11530E-03 -0.45501E-05 1656 0.180E-02 0.201E-02
DAV: 25 -0.445662066161E+03 -0.69176E-04 -0.24373E-05 1176 0.109E-02 0.185E-02
DAV: 26 -0.445662108779E+03 -0.42618E-04 -0.40624E-06 936 0.524E-03 0.116E-02
DAV: 27 -0.445662160762E+03 -0.51982E-04 -0.33463E-06 1096 0.436E-03 0.112E-02
DAV: 28 -0.445662185406E+03 -0.24644E-04 -0.32133E-06 1024 0.413E-03 0.393E-03
DAV: 29 -0.445662191157E+03 -0.57512E-05 -0.90556E-07 936 0.213E-03
1 F= -.44566219E+03 E0= -.44563654E+03 d E =-.769595E-01