iterations/neb0_image07_iter36_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 0.210263833445E+04 0.21026E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138542729585E+03 -0.22412E+04 -0.21524E+04 2152 0.262E+02
DAV: 3 -0.464375796338E+03 -0.32583E+03 -0.32093E+03 1872 0.108E+02
DAV: 4 -0.477187289710E+03 -0.12811E+02 -0.12763E+02 1936 0.228E+01
DAV: 5 -0.477682596485E+03 -0.49531E+00 -0.49502E+00 2128 0.389E+00 0.429E+01
DAV: 6 -0.448489562968E+03 0.29193E+02 -0.14759E+02 2024 0.320E+01 0.272E+01
DAV: 7 -0.445778245056E+03 0.27113E+01 -0.24842E+01 1840 0.116E+01 0.127E+01
DAV: 8 -0.446289018729E+03 -0.51077E+00 -0.11708E+01 2008 0.659E+00 0.980E+00
DAV: 9 -0.446299808075E+03 -0.10789E-01 -0.56383E+00 2416 0.703E+00 0.650E+00
DAV: 10 -0.445983794159E+03 0.31601E+00 -0.12177E+00 1792 0.221E+00 0.541E+00
DAV: 11 -0.445299629532E+03 0.68416E+00 -0.64743E-01 2256 0.238E+00 0.295E+00
DAV: 12 -0.445246745892E+03 0.52884E-01 -0.11262E+00 2000 0.153E+00 0.175E+00
DAV: 13 -0.445260836083E+03 -0.14090E-01 -0.74885E-02 1912 0.702E-01 0.102E+00
DAV: 14 -0.445250822250E+03 0.10014E-01 -0.11353E-02 1832 0.260E-01 0.472E-01
DAV: 15 -0.445255349332E+03 -0.45271E-02 -0.14632E-02 1864 0.262E-01 0.304E-01
DAV: 16 -0.445257203902E+03 -0.18546E-02 -0.23513E-03 2008 0.131E-01 0.437E-01
DAV: 17 -0.445257090634E+03 0.11327E-03 -0.91778E-04 1920 0.978E-02 0.269E-01
DAV: 18 -0.445258322474E+03 -0.12318E-02 -0.16577E-03 2264 0.113E-01 0.193E-01
DAV: 19 -0.445259845649E+03 -0.15232E-02 -0.65741E-04 1904 0.871E-02 0.103E-01
DAV: 20 -0.445261637545E+03 -0.17919E-02 -0.42303E-04 1808 0.432E-02 0.446E-02
DAV: 21 -0.445262352108E+03 -0.71456E-03 -0.23079E-04 1976 0.531E-02 0.130E-01
DAV: 22 -0.445263445557E+03 -0.10934E-02 -0.25656E-04 1768 0.320E-02 0.132E-01
DAV: 23 -0.445263778342E+03 -0.33278E-03 -0.85842E-05 1672 0.329E-02 0.382E-02
DAV: 24 -0.445263952248E+03 -0.17391E-03 -0.12143E-04 1792 0.289E-02 0.414E-02
DAV: 25 -0.445263995772E+03 -0.43524E-04 -0.15738E-05 1208 0.104E-02 0.165E-02
DAV: 26 -0.445264040063E+03 -0.44291E-04 -0.35864E-06 1024 0.436E-03 0.190E-02
DAV: 27 -0.445264073788E+03 -0.33725E-04 -0.50867E-06 1136 0.557E-03 0.619E-03
DAV: 28 -0.445264088550E+03 -0.14762E-04 -0.20852E-06 936 0.377E-03 0.477E-03
DAV: 29 -0.445264096489E+03 -0.79391E-05 -0.10899E-06 952 0.298E-03
1 F= -.44526410E+03 E0= -.44525144E+03 d E =-.379697E-01