iterations/neb0_image02_iter48_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 0.209727169408E+04 0.20973E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.140893133670E+03 -0.22382E+04 -0.21515E+04 2160 0.262E+02
DAV: 3 -0.461929464001E+03 -0.32104E+03 -0.31733E+03 1888 0.107E+02
DAV: 4 -0.475576231528E+03 -0.13647E+02 -0.13439E+02 1944 0.227E+01
DAV: 5 -0.476101511140E+03 -0.52528E+00 -0.52487E+00 2104 0.391E+00 0.434E+01
DAV: 6 -0.456795628010E+03 0.19306E+02 -0.19531E+02 2040 0.317E+01 0.410E+01
DAV: 7 -0.452234678468E+03 0.45609E+01 -0.42297E+01 1776 0.142E+01 0.220E+01
DAV: 8 -0.445347908450E+03 0.68868E+01 -0.98191E+00 1808 0.812E+00 0.106E+01
DAV: 9 -0.445506256391E+03 -0.15835E+00 -0.12876E+01 1920 0.676E+00 0.914E+00
DAV: 10 -0.444767116013E+03 0.73914E+00 -0.94483E-01 1872 0.235E+00 0.679E+00
DAV: 11 -0.446369549416E+03 -0.16024E+01 -0.21819E+01 2080 0.405E+00 0.138E+01
DAV: 12 -0.444184409385E+03 0.21851E+01 -0.10309E+00 1992 0.342E+00 0.152E+00
DAV: 13 -0.444350669324E+03 -0.16626E+00 -0.25464E-01 1880 0.831E-01 0.639E-01
DAV: 14 -0.444355591707E+03 -0.49224E-02 -0.11385E-02 2144 0.277E-01 0.404E-01
DAV: 15 -0.444363463908E+03 -0.78722E-02 -0.10904E-02 1896 0.301E-01 0.475E-01
DAV: 16 -0.444363285107E+03 0.17880E-03 -0.38186E-03 1912 0.178E-01 0.186E-01
DAV: 17 -0.444364700748E+03 -0.14156E-02 -0.77287E-04 1952 0.681E-02 0.123E-01
DAV: 18 -0.444366157205E+03 -0.14565E-02 -0.57595E-04 1984 0.633E-02 0.175E-01
DAV: 19 -0.444367853080E+03 -0.16959E-02 -0.51029E-04 1888 0.607E-02 0.478E-02
DAV: 20 -0.444368928856E+03 -0.10758E-02 -0.25397E-04 1968 0.556E-02 0.519E-02
DAV: 21 -0.444369851118E+03 -0.92226E-03 -0.27012E-04 1936 0.434E-02 0.722E-02
DAV: 22 -0.444370627960E+03 -0.77684E-03 -0.95715E-05 1848 0.226E-02 0.450E-02
DAV: 23 -0.444371260439E+03 -0.63248E-03 -0.10589E-04 1816 0.229E-02 0.496E-02
DAV: 24 -0.444371585452E+03 -0.32501E-03 -0.45285E-05 1656 0.222E-02 0.132E-02
DAV: 25 -0.444371683403E+03 -0.97951E-04 -0.43200E-05 1680 0.148E-02 0.114E-02
DAV: 26 -0.444371708810E+03 -0.25407E-04 -0.40682E-06 936 0.827E-03 0.692E-03
DAV: 27 -0.444371745030E+03 -0.36220E-04 -0.97428E-06 1064 0.791E-03 0.333E-03
DAV: 28 -0.444371781700E+03 -0.36670E-04 -0.26135E-06 1112 0.359E-03 0.247E-03
DAV: 29 -0.444371800376E+03 -0.18675E-04 -0.16001E-06 1016 0.283E-03 0.334E-03
DAV: 30 -0.444371806184E+03 -0.58085E-05 -0.66795E-07 936 0.312E-03
1 F= -.44437181E+03 E0= -.44436560E+03 d E =-.186190E-01