iterations/neb0_image03_iter27_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 0.209865082022E+04 0.20987E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137360494037E+03 -0.22360E+04 -0.21460E+04 2144 0.262E+02
DAV: 3 -0.463990731720E+03 -0.32663E+03 -0.32139E+03 1872 0.108E+02
DAV: 4 -0.477186785251E+03 -0.13196E+02 -0.13145E+02 1976 0.230E+01
DAV: 5 -0.477650811648E+03 -0.46403E+00 -0.46379E+00 2088 0.381E+00 0.433E+01
DAV: 6 -0.451895387608E+03 0.25755E+02 -0.14672E+02 2024 0.318E+01 0.418E+01
DAV: 7 -0.454217055762E+03 -0.23217E+01 -0.13386E+02 1784 0.147E+01 0.219E+01
DAV: 8 -0.447735513186E+03 0.64815E+01 -0.98271E+00 1856 0.896E+00 0.136E+01
DAV: 9 -0.446590216302E+03 0.11453E+01 -0.15836E+01 2040 0.118E+01 0.120E+01
DAV: 10 -0.445807761690E+03 0.78245E+00 -0.44469E+00 1840 0.369E+00 0.108E+01
DAV: 11 -0.445273363916E+03 0.53440E+00 -0.36365E-01 1992 0.189E+00 0.979E+00
DAV: 12 -0.444607350116E+03 0.66601E+00 -0.82854E+00 2112 0.436E+00 0.104E+01
DAV: 13 -0.444371286664E+03 0.23606E+00 -0.57297E+00 2040 0.363E+00 0.607E+00
DAV: 14 -0.443996022033E+03 0.37526E+00 -0.12628E+00 1880 0.146E+00 0.120E+00
DAV: 15 -0.444027611642E+03 -0.31590E-01 -0.75836E-02 1920 0.624E-01 0.155E+00
DAV: 16 -0.444041098987E+03 -0.13487E-01 -0.23495E-02 1896 0.352E-01 0.142E+00
DAV: 17 -0.444039067170E+03 0.20318E-02 -0.50380E-03 2088 0.193E-01 0.130E+00
DAV: 18 -0.444035633417E+03 0.34338E-02 -0.69831E-03 1976 0.268E-01 0.668E-01
DAV: 19 -0.444041329004E+03 -0.56956E-02 -0.29432E-03 1856 0.130E-01 0.972E-02
DAV: 20 -0.444043773769E+03 -0.24448E-02 -0.59026E-04 1936 0.774E-02 0.242E-01
DAV: 21 -0.444044397389E+03 -0.62362E-03 -0.49089E-04 1856 0.644E-02 0.457E-02
DAV: 22 -0.444045765582E+03 -0.13682E-02 -0.15512E-04 1824 0.344E-02 0.187E-01
DAV: 23 -0.444047356169E+03 -0.15906E-02 -0.50847E-04 1848 0.546E-02 0.127E-01
DAV: 24 -0.444047888755E+03 -0.53259E-03 -0.13024E-04 1776 0.272E-02 0.464E-02
DAV: 25 -0.444048126917E+03 -0.23816E-03 -0.49219E-05 1632 0.196E-02 0.312E-02
DAV: 26 -0.444048334944E+03 -0.20803E-03 -0.62864E-05 1880 0.209E-02 0.520E-02
DAV: 27 -0.444048367880E+03 -0.32936E-04 -0.91590E-06 1200 0.850E-03 0.173E-02
DAV: 28 -0.444048422858E+03 -0.54978E-04 -0.16019E-05 1224 0.117E-02 0.208E-02
DAV: 29 -0.444048442959E+03 -0.20100E-04 -0.39643E-06 952 0.552E-03 0.655E-03
DAV: 30 -0.444048463997E+03 -0.21038E-04 -0.17525E-06 984 0.357E-03 0.187E-03
DAV: 31 -0.444048477148E+03 -0.13151E-04 -0.12507E-06 944 0.339E-03 0.504E-03
DAV: 32 -0.444048491661E+03 -0.14513E-04 -0.76733E-07 1000 0.214E-03 0.307E-03
DAV: 33 -0.444048496512E+03 -0.48509E-05 -0.48542E-07 936 0.216E-03
1 F= -.44404850E+03 E0= -.44403491E+03 d E =-.407494E-01