iterations/neb0_image01_iter57_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 0.208826932176E+04 0.20883E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141283651092E+03 -0.22296E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461850012956E+03 -0.32057E+03 -0.31697E+03 1896 0.107E+02
DAV: 4 -0.475355095123E+03 -0.13505E+02 -0.13281E+02 1968 0.227E+01
DAV: 5 -0.475847025135E+03 -0.49193E+00 -0.49162E+00 2096 0.381E+00 0.435E+01
DAV: 6 -0.458767545584E+03 0.17079E+02 -0.24064E+02 2048 0.319E+01 0.411E+01
DAV: 7 -0.449938302347E+03 0.88292E+01 -0.41600E+01 1772 0.140E+01 0.198E+01
DAV: 8 -0.445437361216E+03 0.45009E+01 -0.82429E+00 1800 0.710E+00 0.115E+01
DAV: 9 -0.446661355376E+03 -0.12240E+01 -0.26797E+01 2116 0.803E+00 0.101E+01
DAV: 10 -0.446130184054E+03 0.53117E+00 -0.15205E+00 1824 0.227E+00 0.912E+00
DAV: 11 -0.444946986908E+03 0.11832E+01 -0.16968E+00 1976 0.240E+00 0.586E+00
DAV: 12 -0.444712107944E+03 0.23488E+00 -0.55007E+00 2016 0.264E+00 0.113E+01
DAV: 13 -0.444531392029E+03 0.18072E+00 -0.88635E+00 1944 0.223E+00 0.373E+00
DAV: 14 -0.444516132868E+03 0.15259E-01 -0.11984E-01 1864 0.708E-01 0.342E+00
DAV: 15 -0.444392850374E+03 0.12328E+00 -0.20449E-02 2032 0.509E-01 0.124E+00
DAV: 16 -0.444403016302E+03 -0.10166E-01 -0.12977E-02 1872 0.344E-01 0.795E-01
DAV: 17 -0.444415176873E+03 -0.12161E-01 -0.10914E-01 2088 0.348E-01 0.752E-01
DAV: 18 -0.444418895508E+03 -0.37186E-02 -0.42633E-03 1904 0.170E-01 0.366E-01
DAV: 19 -0.444418805534E+03 0.89974E-04 -0.16346E-03 1880 0.914E-02 0.179E-01
DAV: 20 -0.444419973207E+03 -0.11677E-02 -0.62849E-04 1936 0.668E-02 0.478E-02
DAV: 21 -0.444421047158E+03 -0.10740E-02 -0.30293E-04 1808 0.424E-02 0.838E-02
DAV: 22 -0.444421964637E+03 -0.91748E-03 -0.17198E-04 1992 0.348E-02 0.105E-01
DAV: 23 -0.444422136215E+03 -0.17158E-03 -0.15660E-04 1920 0.375E-02 0.234E-02
DAV: 24 -0.444422578721E+03 -0.44251E-03 -0.55962E-05 1800 0.205E-02 0.145E-02
DAV: 25 -0.444423002179E+03 -0.42346E-03 -0.63939E-05 1792 0.153E-02 0.271E-02
DAV: 26 -0.444423140721E+03 -0.13854E-03 -0.17138E-05 1448 0.116E-02 0.999E-03
DAV: 27 -0.444423183954E+03 -0.43232E-04 -0.14184E-05 1352 0.972E-03 0.131E-02
DAV: 28 -0.444423199335E+03 -0.15381E-04 -0.44568E-06 976 0.566E-03 0.630E-03
DAV: 29 -0.444423225197E+03 -0.25862E-04 -0.95475E-06 1200 0.844E-03 0.141E-02
DAV: 30 -0.444423232390E+03 -0.71924E-05 -0.18820E-06 936 0.379E-03
1 F= -.44442323E+03 E0= -.44441630E+03 d E =-.207903E-01