./iterations/neb0_image06_iter12_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 0.209636734770E+04 0.20964E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.137078493256E+03 -0.22334E+04 -0.21433E+04 2136 0.262E+02
DAV: 3 -0.462722598547E+03 -0.32564E+03 -0.32067E+03 1936 0.108E+02
DAV: 4 -0.475559118009E+03 -0.12837E+02 -0.12795E+02 1952 0.226E+01
DAV: 5 -0.475986001992E+03 -0.42688E+00 -0.42663E+00 2088 0.369E+00 0.429E+01
DAV: 6 -0.448930068492E+03 0.27056E+02 -0.15182E+02 2056 0.327E+01 0.310E+01
DAV: 7 -0.447802338773E+03 0.11277E+01 -0.99914E+01 1944 0.158E+01 0.176E+01
DAV: 8 -0.445342599402E+03 0.24597E+01 -0.12743E+01 2240 0.120E+01 0.100E+01
DAV: 9 -0.444807832228E+03 0.53477E+00 -0.59172E+00 1816 0.566E+00 0.723E+00
DAV: 10 -0.444351883959E+03 0.45595E+00 -0.16352E+00 1960 0.342E+00 0.295E+00
DAV: 11 -0.444459942629E+03 -0.10806E+00 -0.18079E+00 1976 0.223E+00 0.520E+00
DAV: 12 -0.444366883128E+03 0.93060E-01 -0.24524E+00 2144 0.216E+00 0.270E+00
DAV: 13 -0.444336103915E+03 0.30779E-01 -0.10873E-01 1864 0.752E-01 0.157E+00
DAV: 14 -0.444328985467E+03 0.71184E-02 -0.18900E-02 1992 0.374E-01 0.121E+00
DAV: 15 -0.444320137221E+03 0.88482E-02 -0.85347E-02 2256 0.507E-01 0.272E-01
DAV: 16 -0.444324902453E+03 -0.47652E-02 -0.15351E-02 1888 0.241E-01 0.215E-01
DAV: 17 -0.444325833956E+03 -0.93150E-03 -0.25191E-03 1848 0.996E-02 0.883E-02
DAV: 18 -0.444327771666E+03 -0.19377E-02 -0.18007E-03 2000 0.758E-02 0.849E-02
DAV: 19 -0.444328880286E+03 -0.11086E-02 -0.29625E-04 1888 0.438E-02 0.563E-02
DAV: 20 -0.444331011273E+03 -0.21310E-02 -0.45663E-04 1824 0.421E-02 0.243E-02
DAV: 21 -0.444331717425E+03 -0.70615E-03 -0.17253E-04 1720 0.255E-02 0.366E-02
DAV: 22 -0.444332163968E+03 -0.44654E-03 -0.17926E-04 1832 0.292E-02 0.177E-02
DAV: 23 -0.444332632660E+03 -0.46869E-03 -0.66678E-05 1624 0.180E-02 0.136E-02
DAV: 24 -0.444332726569E+03 -0.93909E-04 -0.38602E-05 1744 0.156E-02 0.792E-03
DAV: 25 -0.444332766812E+03 -0.40243E-04 -0.89272E-06 1016 0.804E-03 0.554E-03
DAV: 26 -0.444332801695E+03 -0.34883E-04 -0.40021E-06 1088 0.525E-03 0.374E-03
DAV: 27 -0.444332821234E+03 -0.19539E-04 -0.21026E-06 952 0.432E-03 0.264E-03
DAV: 28 -0.444332840011E+03 -0.18777E-04 -0.33284E-06 1024 0.418E-03 0.285E-03
DAV: 29 -0.444332846565E+03 -0.65536E-05 -0.72632E-07 936 0.189E-03
1 F= -.44433285E+03 E0= -.44432512E+03 d E =-.231903E-01