iterations/neb0_image07_iter33_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 0.210283597134E+04 0.21028E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138507186429E+03 -0.22413E+04 -0.21525E+04 2152 0.262E+02
DAV: 3 -0.464553256399E+03 -0.32605E+03 -0.32119E+03 1880 0.108E+02
DAV: 4 -0.477290916898E+03 -0.12738E+02 -0.12692E+02 1952 0.227E+01
DAV: 5 -0.477756976771E+03 -0.46606E+00 -0.46579E+00 2112 0.381E+00 0.430E+01
DAV: 6 -0.448420648083E+03 0.29336E+02 -0.14749E+02 2032 0.319E+01 0.272E+01
DAV: 7 -0.445733412216E+03 0.26872E+01 -0.24413E+01 1856 0.116E+01 0.125E+01
DAV: 8 -0.445966067674E+03 -0.23266E+00 -0.92482E+00 1976 0.623E+00 0.953E+00
DAV: 9 -0.446572131223E+03 -0.60606E+00 -0.76858E+00 2392 0.695E+00 0.692E+00
DAV: 10 -0.446167282943E+03 0.40485E+00 -0.11351E+00 1832 0.222E+00 0.579E+00
DAV: 11 -0.445297156226E+03 0.87013E+00 -0.90832E-01 2304 0.261E+00 0.343E+00
DAV: 12 -0.445195947836E+03 0.10121E+00 -0.10894E+00 1968 0.160E+00 0.793E-01
DAV: 13 -0.445221261858E+03 -0.25314E-01 -0.56214E-02 1872 0.559E-01 0.860E-01
DAV: 14 -0.445216671504E+03 0.45904E-02 -0.14904E-02 1928 0.266E-01 0.317E-01
DAV: 15 -0.445230680494E+03 -0.14009E-01 -0.20816E-02 2112 0.315E-01 0.104E+00
DAV: 16 -0.445221506625E+03 0.91739E-02 -0.47272E-03 1944 0.279E-01 0.321E-01
DAV: 17 -0.445225084948E+03 -0.35783E-02 -0.81805E-03 1960 0.233E-01 0.485E-01
DAV: 18 -0.445224167681E+03 0.91727E-03 -0.12224E-03 1896 0.885E-02 0.277E-01
DAV: 19 -0.445225558284E+03 -0.13906E-02 -0.21045E-03 2192 0.152E-01 0.106E-01
DAV: 20 -0.445227907809E+03 -0.23495E-02 -0.95319E-04 1824 0.730E-02 0.172E-01
DAV: 21 -0.445228218440E+03 -0.31063E-03 -0.25995E-04 1912 0.453E-02 0.112E-01
DAV: 22 -0.445229041309E+03 -0.82287E-03 -0.45566E-04 1832 0.495E-02 0.485E-02
DAV: 23 -0.445229734414E+03 -0.69311E-03 -0.26136E-04 1920 0.347E-02 0.123E-01
DAV: 24 -0.445230177646E+03 -0.44323E-03 -0.61198E-05 1520 0.245E-02 0.512E-02
DAV: 25 -0.445230514197E+03 -0.33655E-03 -0.21241E-04 1832 0.353E-02 0.223E-02
DAV: 26 -0.445230590764E+03 -0.76567E-04 -0.26362E-05 1344 0.130E-02 0.113E-02
DAV: 27 -0.445230632632E+03 -0.41868E-04 -0.74456E-06 1096 0.706E-03 0.457E-03
DAV: 28 -0.445230659375E+03 -0.26743E-04 -0.37405E-06 960 0.449E-03 0.567E-03
DAV: 29 -0.445230674928E+03 -0.15553E-04 -0.10098E-06 960 0.241E-03 0.369E-03
DAV: 30 -0.445230692280E+03 -0.17352E-04 -0.13409E-06 968 0.353E-03 0.452E-03
DAV: 31 -0.445230700362E+03 -0.80826E-05 -0.78438E-07 944 0.287E-03
1 F= -.44523070E+03 E0= -.44521716E+03 d E =-.406165E-01