iterations/neb0_image08_iter52_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 0.210256847944E+04 0.21026E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142063961148E+03 -0.22446E+04 -0.21543E+04 2176 0.262E+02
DAV: 3 -0.466151737647E+03 -0.32409E+03 -0.32080E+03 1824 0.108E+02
DAV: 4 -0.478932101559E+03 -0.12780E+02 -0.12730E+02 1992 0.227E+01
DAV: 5 -0.479393613949E+03 -0.46151E+00 -0.46129E+00 2096 0.381E+00 0.427E+01
DAV: 6 -0.447624453823E+03 0.31769E+02 -0.14404E+02 2000 0.310E+01 0.271E+01
DAV: 7 -0.448332560047E+03 -0.70811E+00 -0.57763E+01 1856 0.111E+01 0.136E+01
DAV: 8 -0.446890049907E+03 0.14425E+01 -0.83754E+00 2456 0.793E+00 0.995E+00
DAV: 9 -0.446410029551E+03 0.48002E+00 -0.13217E+01 2016 0.453E+00 0.557E+00
DAV: 10 -0.446075938149E+03 0.33409E+00 -0.88454E-01 2248 0.437E+00 0.597E+00
DAV: 11 -0.445787483140E+03 0.28846E+00 -0.35768E+00 1976 0.210E+00 0.320E+00
DAV: 12 -0.445773279908E+03 0.14203E-01 -0.11272E+00 1952 0.109E+00 0.230E+00
DAV: 13 -0.445779596633E+03 -0.63167E-02 -0.68618E-01 1976 0.675E-01 0.238E+00
DAV: 14 -0.445750940698E+03 0.28656E-01 -0.24723E-01 2008 0.545E-01 0.512E-01
DAV: 15 -0.445758132622E+03 -0.71919E-02 -0.15570E-02 2000 0.266E-01 0.557E-01
DAV: 16 -0.445757355593E+03 0.77703E-03 -0.48430E-03 1872 0.124E-01 0.242E-01
DAV: 17 -0.445759009869E+03 -0.16543E-02 -0.18086E-03 2016 0.930E-02 0.131E-01
DAV: 18 -0.445761711381E+03 -0.27015E-02 -0.46551E-04 1896 0.662E-02 0.424E-02
DAV: 19 -0.445764175651E+03 -0.24643E-02 -0.60044E-04 1896 0.608E-02 0.219E-01
DAV: 20 -0.445764908331E+03 -0.73268E-03 -0.42522E-04 1904 0.558E-02 0.653E-02
DAV: 21 -0.445766338696E+03 -0.14304E-02 -0.28468E-04 1784 0.346E-02 0.842E-02
DAV: 22 -0.445766963549E+03 -0.62485E-03 -0.14315E-04 1800 0.283E-02 0.256E-02
DAV: 23 -0.445767224448E+03 -0.26090E-03 -0.72508E-05 1784 0.208E-02 0.301E-02
DAV: 24 -0.445767331748E+03 -0.10730E-03 -0.23948E-05 1296 0.143E-02 0.101E-02
DAV: 25 -0.445767383475E+03 -0.51728E-04 -0.11259E-05 960 0.837E-03 0.913E-03
DAV: 26 -0.445767448073E+03 -0.64598E-04 -0.46378E-06 1104 0.532E-03 0.196E-02
DAV: 27 -0.445767482413E+03 -0.34340E-04 -0.35578E-06 1040 0.602E-03 0.288E-03
DAV: 28 -0.445767498939E+03 -0.16526E-04 -0.18950E-06 936 0.321E-03 0.558E-03
DAV: 29 -0.445767504159E+03 -0.52207E-05 -0.54077E-07 936 0.185E-03
1 F= -.44576750E+03 E0= -.44574192E+03 d E =-.767508E-01