iterations/neb0_image04_iter23_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 0.209278137038E+04 0.20928E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.139982844797E+03 -0.22328E+04 -0.21412E+04 2128 0.262E+02
DAV: 3 -0.465403897722E+03 -0.32542E+03 -0.32193E+03 1848 0.108E+02
DAV: 4 -0.478132792816E+03 -0.12729E+02 -0.12676E+02 1984 0.226E+01
DAV: 5 -0.478579932286E+03 -0.44714E+00 -0.44691E+00 2120 0.375E+00 0.430E+01
DAV: 6 -0.447265405637E+03 0.31315E+02 -0.14695E+02 2080 0.319E+01 0.386E+01
DAV: 7 -0.454063039877E+03 -0.67976E+01 -0.26672E+02 1912 0.138E+01 0.210E+01
DAV: 8 -0.448040204561E+03 0.60228E+01 -0.90591E+00 1824 0.756E+00 0.128E+01
DAV: 9 -0.445429032123E+03 0.26112E+01 -0.20711E+01 2032 0.113E+01 0.928E+00
DAV: 10 -0.444609722690E+03 0.81931E+00 -0.38137E+00 1912 0.349E+00 0.103E+01
DAV: 11 -0.444050597243E+03 0.55913E+00 -0.73703E-01 1928 0.169E+00 0.604E+00
DAV: 12 -0.444400618905E+03 -0.35002E+00 -0.97156E+00 2176 0.376E+00 0.710E+00
DAV: 13 -0.444258126120E+03 0.14249E+00 -0.42410E+00 2112 0.316E+00 0.112E+01
DAV: 14 -0.443915536883E+03 0.34259E+00 -0.25832E-01 1784 0.852E-01 0.968E+00
DAV: 15 -0.443538944686E+03 0.37659E+00 -0.13044E+00 2176 0.106E+00 0.532E+00
DAV: 16 -0.443604384998E+03 -0.65440E-01 -0.81782E-01 1968 0.980E-01 0.431E+00
DAV: 17 -0.443607568377E+03 -0.31834E-02 -0.18134E-01 1872 0.679E-01 0.227E+00
DAV: 18 -0.443644196121E+03 -0.36628E-01 -0.46344E-02 1904 0.428E-01 0.145E+00
DAV: 19 -0.443660468149E+03 -0.16272E-01 -0.33025E-02 2096 0.271E-01 0.746E-01
DAV: 20 -0.443671142890E+03 -0.10675E-01 -0.15725E-02 2016 0.234E-01 0.121E+00
DAV: 21 -0.443662880441E+03 0.82624E-02 -0.13553E-02 2016 0.213E-01 0.328E-01
DAV: 22 -0.443672372538E+03 -0.94921E-02 -0.29554E-03 1768 0.127E-01 0.438E-01
DAV: 23 -0.443672331844E+03 0.40695E-04 -0.37349E-03 1984 0.818E-02 0.264E-01
DAV: 24 -0.443676984489E+03 -0.46526E-02 -0.56162E-03 2072 0.130E-01 0.393E-01
DAV: 25 -0.443676332977E+03 0.65151E-03 -0.78826E-04 1880 0.557E-02 0.216E-01
DAV: 26 -0.443677151605E+03 -0.81863E-03 -0.14151E-03 1984 0.549E-02 0.846E-02
DAV: 27 -0.443678147864E+03 -0.99626E-03 -0.32250E-04 1768 0.389E-02 0.133E-01
DAV: 28 -0.443678376354E+03 -0.22849E-03 -0.10960E-04 1520 0.188E-02 0.864E-02
DAV: 29 -0.443678624137E+03 -0.24778E-03 -0.98245E-05 1608 0.192E-02 0.319E-02
DAV: 30 -0.443678675145E+03 -0.51008E-04 -0.24315E-05 1112 0.917E-03 0.113E-02
DAV: 31 -0.443678721901E+03 -0.46756E-04 -0.60956E-06 1048 0.495E-03 0.166E-02
DAV: 32 -0.443678761762E+03 -0.39861E-04 -0.92741E-06 1136 0.465E-03 0.156E-02
DAV: 33 -0.443678776720E+03 -0.14958E-04 -0.70689E-06 984 0.652E-03 0.169E-02
DAV: 34 -0.443678780191E+03 -0.34704E-05 -0.34031E-06 936 0.333E-03
1 F= -.44367878E+03 E0= -.44365396E+03 d E =-.744503E-01