./iterations/neb0_image03_iter24_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 0.209939371766E+04 0.20994E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137625832903E+03 -0.22370E+04 -0.21470E+04 2152 0.262E+02
DAV: 3 -0.464207082220E+03 -0.32658E+03 -0.32168E+03 1848 0.108E+02
DAV: 4 -0.477437661397E+03 -0.13231E+02 -0.13180E+02 2000 0.230E+01
DAV: 5 -0.477891411018E+03 -0.45375E+00 -0.45353E+00 2096 0.377E+00 0.433E+01
DAV: 6 -0.451617483631E+03 0.26274E+02 -0.14732E+02 2008 0.314E+01 0.415E+01
DAV: 7 -0.454314375466E+03 -0.26969E+01 -0.13434E+02 1792 0.146E+01 0.219E+01
DAV: 8 -0.447805626346E+03 0.65087E+01 -0.99978E+00 1856 0.902E+00 0.135E+01
DAV: 9 -0.446467472156E+03 0.13382E+01 -0.16489E+01 2080 0.118E+01 0.120E+01
DAV: 10 -0.445679459109E+03 0.78801E+00 -0.42389E+00 1848 0.366E+00 0.107E+01
DAV: 11 -0.445155587718E+03 0.52387E+00 -0.37969E-01 1976 0.192E+00 0.973E+00
DAV: 12 -0.444540920655E+03 0.61467E+00 -0.76832E+00 2096 0.414E+00 0.101E+01
DAV: 13 -0.444325643709E+03 0.21528E+00 -0.55557E+00 1992 0.333E+00 0.617E+00
DAV: 14 -0.443949597086E+03 0.37605E+00 -0.13869E+00 1872 0.142E+00 0.109E+00
DAV: 15 -0.443988836081E+03 -0.39239E-01 -0.76269E-02 1904 0.605E-01 0.171E+00
DAV: 16 -0.443990467661E+03 -0.16316E-02 -0.20345E-02 1856 0.327E-01 0.892E-01
DAV: 17 -0.443999525099E+03 -0.90574E-02 -0.45903E-03 1912 0.167E-01 0.149E+00
DAV: 18 -0.443990768529E+03 0.87566E-02 -0.57293E-03 1960 0.251E-01 0.746E-01
DAV: 19 -0.443997315316E+03 -0.65468E-02 -0.23898E-03 1872 0.116E-01 0.202E-01
DAV: 20 -0.444000281187E+03 -0.29659E-02 -0.78556E-04 1904 0.882E-02 0.335E-01
DAV: 21 -0.444000750070E+03 -0.46888E-03 -0.41266E-04 1856 0.599E-02 0.931E-02
DAV: 22 -0.444002141568E+03 -0.13915E-02 -0.14456E-04 1864 0.288E-02 0.942E-02
DAV: 23 -0.444003960549E+03 -0.18190E-02 -0.38700E-04 1824 0.429E-02 0.977E-02
DAV: 24 -0.444004327026E+03 -0.36648E-03 -0.82074E-05 1776 0.210E-02 0.212E-02
DAV: 25 -0.444004496240E+03 -0.16921E-03 -0.23362E-05 1400 0.139E-02 0.278E-02
DAV: 26 -0.444004691800E+03 -0.19556E-03 -0.53460E-05 1792 0.202E-02 0.392E-02
DAV: 27 -0.444004709190E+03 -0.17391E-04 -0.78958E-06 1072 0.813E-03 0.104E-02
DAV: 28 -0.444004740870E+03 -0.31680E-04 -0.98425E-06 1032 0.917E-03 0.585E-03
DAV: 29 -0.444004763595E+03 -0.22725E-04 -0.27916E-06 960 0.474E-03 0.729E-03
DAV: 30 -0.444004778249E+03 -0.14654E-04 -0.10596E-06 952 0.267E-03 0.187E-03
DAV: 31 -0.444004789593E+03 -0.11344E-04 -0.62136E-07 944 0.228E-03 0.145E-03
DAV: 32 -0.444004805104E+03 -0.15512E-04 -0.80709E-07 1024 0.193E-03 0.172E-03
DAV: 33 -0.444004807448E+03 -0.23439E-05 -0.29156E-07 936 0.182E-03
1 F= -.44400481E+03 E0= -.44399059E+03 d E =-.426586E-01