iterations/neb0_image01_iter21_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 0.208814458430E+04 0.20881E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141239269053E+03 -0.22294E+04 -0.21419E+04 2144 0.261E+02
DAV: 3 -0.462030683133E+03 -0.32079E+03 -0.31681E+03 1920 0.107E+02
DAV: 4 -0.475685049801E+03 -0.13654E+02 -0.13499E+02 1960 0.227E+01
DAV: 5 -0.476160448261E+03 -0.47540E+00 -0.47509E+00 2132 0.379E+00 0.434E+01
DAV: 6 -0.457076866766E+03 0.19084E+02 -0.19618E+02 2016 0.317E+01 0.411E+01
DAV: 7 -0.452256317506E+03 0.48205E+01 -0.41850E+01 1768 0.139E+01 0.219E+01
DAV: 8 -0.445400919046E+03 0.68554E+01 -0.95672E+00 1808 0.792E+00 0.105E+01
DAV: 9 -0.445120493364E+03 0.28043E+00 -0.63494E+00 1904 0.566E+00 0.887E+00
DAV: 10 -0.444421496109E+03 0.69900E+00 -0.73398E-01 1896 0.226E+00 0.500E+00
DAV: 11 -0.445905592322E+03 -0.14841E+01 -0.13482E+01 1976 0.237E+00 0.132E+01
DAV: 12 -0.444222979066E+03 0.16826E+01 -0.53264E-01 1976 0.226E+00 0.122E+00
DAV: 13 -0.444375486155E+03 -0.15251E+00 -0.97286E-02 1912 0.678E-01 0.587E-01
DAV: 14 -0.444393750923E+03 -0.18265E-01 -0.27450E-02 2072 0.464E-01 0.746E-01
DAV: 15 -0.444392627792E+03 0.11231E-02 -0.79105E-03 1848 0.244E-01 0.202E-01
DAV: 16 -0.444395367811E+03 -0.27400E-02 -0.14707E-03 1976 0.116E-01 0.112E-01
DAV: 17 -0.444398305705E+03 -0.29379E-02 -0.20282E-03 1960 0.111E-01 0.322E-01
DAV: 18 -0.444398668259E+03 -0.36255E-03 -0.45086E-04 1936 0.665E-02 0.103E-01
DAV: 19 -0.444400978098E+03 -0.23098E-02 -0.42259E-04 1848 0.577E-02 0.433E-02
DAV: 20 -0.444402221587E+03 -0.12435E-02 -0.31738E-04 2032 0.474E-02 0.457E-02
DAV: 21 -0.444403041014E+03 -0.81943E-03 -0.18977E-04 1952 0.387E-02 0.242E-02
DAV: 22 -0.444404174561E+03 -0.11335E-02 -0.18345E-04 1792 0.243E-02 0.198E-02
DAV: 23 -0.444404524057E+03 -0.34950E-03 -0.58153E-05 1712 0.177E-02 0.105E-02
DAV: 24 -0.444404652644E+03 -0.12859E-03 -0.57346E-05 1808 0.205E-02 0.146E-02
DAV: 25 -0.444404690277E+03 -0.37633E-04 -0.56579E-06 992 0.690E-03 0.109E-02
DAV: 26 -0.444404768464E+03 -0.78187E-04 -0.16196E-05 1280 0.121E-02 0.485E-03
DAV: 27 -0.444404791098E+03 -0.22633E-04 -0.70744E-06 1032 0.651E-03 0.374E-03
DAV: 28 -0.444404802576E+03 -0.11478E-04 -0.18984E-06 936 0.324E-03 0.324E-03
DAV: 29 -0.444404814060E+03 -0.11484E-04 -0.12245E-06 1000 0.365E-03 0.131E-03
DAV: 30 -0.444404821536E+03 -0.74764E-05 -0.18654E-06 936 0.332E-03
1 F= -.44440482E+03 E0= -.44439845E+03 d E =-.191110E-01