iterations/neb0_image02_iter17_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 0.208908234906E+04 0.20891E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.142094266762E+03 -0.22312E+04 -0.21439E+04 2152 0.261E+02
DAV: 3 -0.462708483098E+03 -0.32061E+03 -0.31573E+03 1904 0.107E+02
DAV: 4 -0.476130838077E+03 -0.13422E+02 -0.13364E+02 1944 0.229E+01
DAV: 5 -0.476607133884E+03 -0.47630E+00 -0.47596E+00 2120 0.383E+00 0.433E+01
DAV: 6 -0.455245576574E+03 0.21362E+02 -0.14917E+02 2032 0.320E+01 0.408E+01
DAV: 7 -0.452955371954E+03 0.22902E+01 -0.42602E+01 1784 0.141E+01 0.220E+01
DAV: 8 -0.446021417575E+03 0.69340E+01 -0.95172E+00 1816 0.833E+00 0.132E+01
DAV: 9 -0.448037719217E+03 -0.20163E+01 -0.29694E+01 2080 0.110E+01 0.188E+01
DAV: 10 -0.445997345808E+03 0.20404E+01 -0.13724E+01 1856 0.372E+00 0.104E+01
DAV: 11 -0.445872898977E+03 0.12445E+00 -0.26089E-01 1952 0.926E-01 0.969E+00
DAV: 12 -0.445885739921E+03 -0.12841E-01 -0.44372E-02 2008 0.583E-01 0.964E+00
DAV: 13 -0.447098929541E+03 -0.12132E+01 -0.63136E+00 2000 0.368E+00 0.213E+01
DAV: 14 -0.445061367701E+03 0.20376E+01 -0.12477E+01 1832 0.225E+00 0.548E+00
DAV: 15 -0.445220215658E+03 -0.15885E+00 -0.21100E-01 1896 0.118E+00 0.472E+00
DAV: 16 -0.445023162382E+03 0.19705E+00 -0.11389E-01 2016 0.963E-01 0.433E+00
DAV: 17 -0.444837774372E+03 0.18539E+00 -0.93109E-02 2128 0.651E-01 0.345E+00
DAV: 18 -0.444732310499E+03 0.10546E+00 -0.90653E-03 1968 0.439E-01 0.362E+00
DAV: 19 -0.444434305447E+03 0.29801E+00 -0.50368E-02 2368 0.835E-01 0.261E+00
DAV: 20 -0.444332794541E+03 0.10151E+00 -0.17445E-01 2072 0.699E-01 0.179E+00
DAV: 21 -0.444355105086E+03 -0.22311E-01 -0.10642E-01 1904 0.381E-01 0.212E+00
DAV: 22 -0.444335232461E+03 0.19873E-01 -0.45455E-03 1912 0.225E-01 0.173E+00
DAV: 23 -0.444260860965E+03 0.74371E-01 -0.31548E-01 2216 0.907E-01 0.696E-01
DAV: 24 -0.444276520028E+03 -0.15659E-01 -0.28919E-02 1888 0.369E-01 0.822E-01
DAV: 25 -0.444275792993E+03 0.72703E-03 -0.39015E-03 1920 0.124E-01 0.486E-01
DAV: 26 -0.444278462302E+03 -0.26693E-02 -0.37941E-03 1912 0.154E-01 0.813E-01
DAV: 27 -0.444311778964E+03 -0.33317E-01 -0.13714E-02 2192 0.517E-01 0.196E+00
DAV: 28 -0.444302866065E+03 0.89129E-02 -0.57090E-03 1912 0.254E-01 0.129E+00
DAV: 29 -0.444283318834E+03 0.19547E-01 -0.49545E-03 2216 0.286E-01 0.662E-01
DAV: 30 -0.444280550650E+03 0.27682E-02 -0.33814E-03 1912 0.141E-01 0.510E-01
DAV: 31 -0.444279974046E+03 0.57660E-03 -0.69790E-04 1992 0.595E-02 0.487E-01
DAV: 32 -0.444278248402E+03 0.17256E-02 -0.22699E-04 1720 0.652E-02 0.377E-01
DAV: 33 -0.444275394128E+03 0.28543E-02 -0.14190E-03 2184 0.152E-01 0.779E-02
DAV: 34 -0.444276916259E+03 -0.15221E-02 -0.73172E-04 1832 0.503E-02 0.320E-02
DAV: 35 -0.444277048446E+03 -0.13219E-03 -0.32934E-05 1552 0.124E-02 0.255E-02
DAV: 36 -0.444277099164E+03 -0.50718E-04 -0.81774E-06 1272 0.785E-03 0.423E-02
DAV: 37 -0.444277302792E+03 -0.20363E-03 -0.68473E-05 1776 0.279E-02 0.464E-02
DAV: 38 -0.444277436737E+03 -0.13395E-03 -0.39085E-05 1616 0.125E-02 0.539E-02
DAV: 39 -0.444277444830E+03 -0.80924E-05 -0.38864E-06 936 0.559E-03
1 F= -.44427744E+03 E0= -.44427010E+03 d E =-.220263E-01