iterations/neb0_image08_iter54_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 0.210259868484E+04 0.21026E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142101945637E+03 -0.22447E+04 -0.21543E+04 2176 0.262E+02
DAV: 3 -0.466160461309E+03 -0.32406E+03 -0.32077E+03 1824 0.108E+02
DAV: 4 -0.478936904512E+03 -0.12776E+02 -0.12726E+02 1992 0.227E+01
DAV: 5 -0.479397527856E+03 -0.46062E+00 -0.46040E+00 2104 0.381E+00 0.427E+01
DAV: 6 -0.447618397532E+03 0.31779E+02 -0.14386E+02 1992 0.310E+01 0.271E+01
DAV: 7 -0.448376210097E+03 -0.75781E+00 -0.58914E+01 1848 0.110E+01 0.137E+01
DAV: 8 -0.446889191628E+03 0.14870E+01 -0.85010E+00 2440 0.794E+00 0.997E+00
DAV: 9 -0.446451722507E+03 0.43747E+00 -0.13823E+01 2032 0.451E+00 0.555E+00
DAV: 10 -0.446061995804E+03 0.38973E+00 -0.88410E-01 2240 0.436E+00 0.583E+00
DAV: 11 -0.445816654643E+03 0.24534E+00 -0.35887E+00 1960 0.208E+00 0.349E+00
DAV: 12 -0.445789670690E+03 0.26984E-01 -0.13110E+00 1944 0.111E+00 0.241E+00
DAV: 13 -0.445792288394E+03 -0.26177E-02 -0.69268E-01 1984 0.685E-01 0.232E+00
DAV: 14 -0.445765148573E+03 0.27140E-01 -0.23456E-01 1912 0.540E-01 0.492E-01
DAV: 15 -0.445772062240E+03 -0.69137E-02 -0.14594E-02 2008 0.261E-01 0.550E-01
DAV: 16 -0.445771334568E+03 0.72767E-03 -0.47645E-03 1896 0.119E-01 0.235E-01
DAV: 17 -0.445773019344E+03 -0.16848E-02 -0.17666E-03 2016 0.923E-02 0.114E-01
DAV: 18 -0.445775767503E+03 -0.27482E-02 -0.42924E-04 1896 0.616E-02 0.762E-02
DAV: 19 -0.445778146932E+03 -0.23794E-02 -0.55274E-04 1912 0.605E-02 0.215E-01
DAV: 20 -0.445779083811E+03 -0.93688E-03 -0.59171E-04 2016 0.652E-02 0.121E-01
DAV: 21 -0.445780329741E+03 -0.12459E-02 -0.27931E-04 1792 0.357E-02 0.656E-02
DAV: 22 -0.445780866140E+03 -0.53640E-03 -0.14364E-04 1816 0.283E-02 0.161E-02
DAV: 23 -0.445781102907E+03 -0.23677E-03 -0.67895E-05 1768 0.208E-02 0.252E-02
DAV: 24 -0.445781215708E+03 -0.11280E-03 -0.26798E-05 1392 0.150E-02 0.734E-03
DAV: 25 -0.445781277583E+03 -0.61875E-04 -0.92101E-06 1016 0.724E-03 0.540E-03
DAV: 26 -0.445781349720E+03 -0.72137E-04 -0.52552E-06 1128 0.566E-03 0.214E-02
DAV: 27 -0.445781380107E+03 -0.30386E-04 -0.31379E-06 1000 0.561E-03 0.229E-03
DAV: 28 -0.445781398604E+03 -0.18497E-04 -0.25148E-06 944 0.351E-03 0.785E-03
DAV: 29 -0.445781404140E+03 -0.55361E-05 -0.57860E-07 960 0.201E-03
1 F= -.44578140E+03 E0= -.44575558E+03 d E =-.774692E-01