iterations/neb0_image09_iter5_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 0.210055908665E+04 0.21006E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.141708371643E+03 -0.22423E+04 -0.21525E+04 2152 0.262E+02
DAV: 3 -0.466180469535E+03 -0.32447E+03 -0.32106E+03 1848 0.108E+02
DAV: 4 -0.478961195779E+03 -0.12781E+02 -0.12732E+02 1968 0.227E+01
DAV: 5 -0.479420918960E+03 -0.45972E+00 -0.45947E+00 2128 0.377E+00 0.429E+01
DAV: 6 -0.447197861742E+03 0.32223E+02 -0.14343E+02 2016 0.308E+01 0.271E+01
DAV: 7 -0.448530912404E+03 -0.13331E+01 -0.66483E+01 1872 0.111E+01 0.136E+01
DAV: 8 -0.446381344620E+03 0.21496E+01 -0.76766E+00 2480 0.799E+00 0.992E+00
DAV: 9 -0.446707802009E+03 -0.32646E+00 -0.21065E+01 2008 0.463E+00 0.552E+00
DAV: 10 -0.445732321539E+03 0.97548E+00 -0.89282E-01 2152 0.411E+00 0.262E+00
DAV: 11 -0.445762309667E+03 -0.29988E-01 -0.12429E+00 1888 0.157E+00 0.258E+00
DAV: 12 -0.445763008564E+03 -0.69890E-03 -0.12043E+00 1944 0.987E-01 0.286E+00
DAV: 13 -0.445792383814E+03 -0.29375E-01 -0.14556E+00 2328 0.906E-01 0.343E+00
DAV: 14 -0.445713378295E+03 0.79006E-01 -0.38963E-01 2112 0.652E-01 0.356E-01
DAV: 15 -0.445723879674E+03 -0.10501E-01 -0.29913E-02 1968 0.331E-01 0.728E-01
DAV: 16 -0.445722997750E+03 0.88192E-03 -0.50094E-03 1808 0.152E-01 0.337E-01
DAV: 17 -0.445724848158E+03 -0.18504E-02 -0.12986E-03 1992 0.831E-02 0.345E-01
DAV: 18 -0.445727574278E+03 -0.27261E-02 -0.66410E-03 2088 0.983E-02 0.335E-01
DAV: 19 -0.445728971339E+03 -0.13971E-02 -0.24573E-03 1872 0.877E-02 0.411E-02
DAV: 20 -0.445731197480E+03 -0.22261E-02 -0.88043E-04 1880 0.644E-02 0.543E-02
DAV: 21 -0.445732240479E+03 -0.10430E-02 -0.31360E-04 1848 0.354E-02 0.642E-02
DAV: 22 -0.445732798210E+03 -0.55773E-03 -0.19826E-04 1936 0.339E-02 0.335E-02
DAV: 23 -0.445733043149E+03 -0.24494E-03 -0.14564E-04 1704 0.218E-02 0.685E-02
DAV: 24 -0.445733161554E+03 -0.11841E-03 -0.87852E-05 1592 0.179E-02 0.794E-03
DAV: 25 -0.445733254228E+03 -0.92674E-04 -0.14254E-05 1088 0.813E-03 0.149E-02
DAV: 26 -0.445733319284E+03 -0.65056E-04 -0.97627E-06 1120 0.712E-03 0.552E-03
DAV: 27 -0.445733356083E+03 -0.36799E-04 -0.39881E-06 1000 0.476E-03 0.380E-03
DAV: 28 -0.445733377405E+03 -0.21322E-04 -0.12453E-06 968 0.264E-03 0.144E-03
DAV: 29 -0.445733391435E+03 -0.14030E-04 -0.16092E-06 968 0.310E-03 0.474E-03
DAV: 30 -0.445733396616E+03 -0.51811E-05 -0.68041E-07 944 0.222E-03
1 F= -.44573340E+03 E0= -.44570902E+03 d E =-.731352E-01