iterations/neb0_image07_iter65_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 0.210169355506E+04 0.21017E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.137727063768E+03 -0.22394E+04 -0.21495E+04 2136 0.262E+02
DAV: 3 -0.464683186582E+03 -0.32696E+03 -0.32244E+03 1856 0.108E+02
DAV: 4 -0.477741528696E+03 -0.13058E+02 -0.13008E+02 1968 0.229E+01
DAV: 5 -0.478213073502E+03 -0.47154E+00 -0.47127E+00 2104 0.383E+00 0.429E+01
DAV: 6 -0.448503407026E+03 0.29710E+02 -0.14722E+02 2024 0.316E+01 0.271E+01
DAV: 7 -0.445978349795E+03 0.25251E+01 -0.24586E+01 1872 0.115E+01 0.123E+01
DAV: 8 -0.446213892286E+03 -0.23554E+00 -0.80675E+00 2056 0.582E+00 0.776E+00
DAV: 9 -0.446214535763E+03 -0.64348E-03 -0.97680E+00 2272 0.446E+00 0.806E+00
DAV: 10 -0.445791085539E+03 0.42345E+00 -0.12877E+00 2560 0.462E+00 0.477E+00
DAV: 11 -0.445506630262E+03 0.28446E+00 -0.40681E-01 1840 0.187E+00 0.292E+00
DAV: 12 -0.445439304015E+03 0.67326E-01 -0.68151E-01 2104 0.130E+00 0.134E+00
DAV: 13 -0.445447462795E+03 -0.81588E-02 -0.61906E-02 1872 0.611E-01 0.783E-01
DAV: 14 -0.445463631117E+03 -0.16168E-01 -0.30705E-02 1912 0.406E-01 0.174E+00
DAV: 15 -0.445446912005E+03 0.16719E-01 -0.25402E-02 2184 0.393E-01 0.192E-01
DAV: 16 -0.445453107049E+03 -0.61950E-02 -0.84947E-03 1896 0.224E-01 0.487E-01
DAV: 17 -0.445452798016E+03 0.30903E-03 -0.11602E-03 1904 0.101E-01 0.210E-01
DAV: 18 -0.445453940415E+03 -0.11424E-02 -0.17475E-03 1896 0.956E-02 0.110E-01
DAV: 19 -0.445455789492E+03 -0.18491E-02 -0.12113E-03 2208 0.890E-02 0.213E-01
DAV: 20 -0.445456910607E+03 -0.11211E-02 -0.70622E-04 2248 0.818E-02 0.673E-02
DAV: 21 -0.445458662195E+03 -0.17516E-02 -0.41020E-04 1784 0.453E-02 0.101E-01
DAV: 22 -0.445459451202E+03 -0.78901E-03 -0.17996E-04 1872 0.275E-02 0.127E-01
DAV: 23 -0.445459775976E+03 -0.32477E-03 -0.72718E-05 1664 0.224E-02 0.372E-02
DAV: 24 -0.445460182105E+03 -0.40613E-03 -0.10624E-04 1744 0.263E-02 0.121E-02
DAV: 25 -0.445460238216E+03 -0.56111E-04 -0.44073E-05 1648 0.155E-02 0.145E-02
DAV: 26 -0.445460285254E+03 -0.47038E-04 -0.43385E-06 1024 0.558E-03 0.127E-02
DAV: 27 -0.445460323245E+03 -0.37991E-04 -0.81377E-06 1064 0.740E-03 0.636E-03
DAV: 28 -0.445460350010E+03 -0.26765E-04 -0.23157E-06 960 0.365E-03 0.213E-03
DAV: 29 -0.445460367074E+03 -0.17064E-04 -0.14338E-06 1000 0.241E-03 0.286E-03
DAV: 30 -0.445460376152E+03 -0.90775E-05 -0.54570E-07 936 0.220E-03
1 F= -.44546038E+03 E0= -.44544531E+03 d E =-.452085E-01