iterations/neb0_image06_iter6_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 0.210410293830E+04 0.21041E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137659742513E+03 -0.22418E+04 -0.21516E+04 2160 0.262E+02
DAV: 3 -0.462258504066E+03 -0.32460E+03 -0.31947E+03 1904 0.108E+02
DAV: 4 -0.475264875452E+03 -0.13006E+02 -0.12956E+02 1936 0.228E+01
DAV: 5 -0.475764715238E+03 -0.49984E+00 -0.49957E+00 2120 0.389E+00 0.432E+01
DAV: 6 -0.447524414015E+03 0.28240E+02 -0.14924E+02 2056 0.323E+01 0.281E+01
DAV: 7 -0.444524661574E+03 0.29998E+01 -0.32605E+01 1912 0.125E+01 0.133E+01
DAV: 8 -0.444097239959E+03 0.42742E+00 -0.93999E+00 2296 0.718E+00 0.738E+00
DAV: 9 -0.444769819533E+03 -0.67258E+00 -0.15915E+01 2336 0.553E+00 0.618E+00
DAV: 10 -0.443901511519E+03 0.86831E+00 -0.97617E-01 1952 0.297E+00 0.410E+00
DAV: 11 -0.444467203609E+03 -0.56569E+00 -0.85973E+00 2376 0.330E+00 0.937E+00
DAV: 12 -0.443664709749E+03 0.80249E+00 -0.52242E-01 2032 0.223E+00 0.110E+00
DAV: 13 -0.443747681050E+03 -0.82971E-01 -0.16636E-01 1912 0.678E-01 0.622E-01
DAV: 14 -0.443753775823E+03 -0.60948E-02 -0.19117E-02 2160 0.344E-01 0.436E-01
DAV: 15 -0.443759758281E+03 -0.59825E-02 -0.23477E-02 2208 0.296E-01 0.713E-01
DAV: 16 -0.443756587956E+03 0.31703E-02 -0.64584E-03 1968 0.160E-01 0.205E-01
DAV: 17 -0.443759805061E+03 -0.32171E-02 -0.16426E-03 1856 0.892E-02 0.338E-01
DAV: 18 -0.443760411684E+03 -0.60662E-03 -0.24187E-03 2376 0.975E-02 0.648E-02
DAV: 19 -0.443762339880E+03 -0.19282E-02 -0.53974E-04 1952 0.558E-02 0.951E-02
DAV: 20 -0.443765114318E+03 -0.27744E-02 -0.70325E-04 1896 0.646E-02 0.109E-01
DAV: 21 -0.443765878191E+03 -0.76387E-03 -0.61618E-04 2112 0.444E-02 0.454E-02
DAV: 22 -0.443766110100E+03 -0.23191E-03 -0.12862E-04 1872 0.259E-02 0.276E-02
DAV: 23 -0.443766765750E+03 -0.65565E-03 -0.10825E-04 1704 0.195E-02 0.129E-02
DAV: 24 -0.443767041002E+03 -0.27525E-03 -0.51548E-05 1632 0.126E-02 0.131E-02
DAV: 25 -0.443767141676E+03 -0.10067E-03 -0.26951E-05 1312 0.113E-02 0.200E-02
DAV: 26 -0.443767164690E+03 -0.23015E-04 -0.96072E-06 968 0.733E-03 0.130E-02
DAV: 27 -0.443767175791E+03 -0.11101E-04 -0.34653E-06 952 0.441E-03 0.606E-03
DAV: 28 -0.443767207362E+03 -0.31571E-04 -0.44716E-06 1088 0.581E-03 0.324E-03
DAV: 29 -0.443767215929E+03 -0.85670E-05 -0.17420E-06 936 0.344E-03
1 F= -.44376722E+03 E0= -.44375616E+03 d E =-.331589E-01