iterations/neb0_image02_iter50_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 0.209714901836E+04 0.20971E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.140902141118E+03 -0.22381E+04 -0.21514E+04 2160 0.262E+02
DAV: 3 -0.462004659372E+03 -0.32110E+03 -0.31743E+03 1896 0.107E+02
DAV: 4 -0.475608481999E+03 -0.13604E+02 -0.13403E+02 1952 0.227E+01
DAV: 5 -0.476113546011E+03 -0.50506E+00 -0.50468E+00 2112 0.386E+00 0.434E+01
DAV: 6 -0.456780124076E+03 0.19333E+02 -0.19522E+02 2040 0.317E+01 0.410E+01
DAV: 7 -0.452220580956E+03 0.45595E+01 -0.42283E+01 1784 0.142E+01 0.219E+01
DAV: 8 -0.445355129238E+03 0.68655E+01 -0.98471E+00 1800 0.813E+00 0.106E+01
DAV: 9 -0.445495099406E+03 -0.13997E+00 -0.12496E+01 1936 0.675E+00 0.912E+00
DAV: 10 -0.444755663143E+03 0.73944E+00 -0.94167E-01 1872 0.235E+00 0.677E+00
DAV: 11 -0.446407981562E+03 -0.16523E+01 -0.22261E+01 2088 0.406E+00 0.138E+01
DAV: 12 -0.444184997782E+03 0.22230E+01 -0.10503E+00 1984 0.337E+00 0.144E+00
DAV: 13 -0.444350033322E+03 -0.16504E+00 -0.21102E-01 1888 0.827E-01 0.597E-01
DAV: 14 -0.444356833183E+03 -0.67999E-02 -0.11817E-02 2176 0.279E-01 0.403E-01
DAV: 15 -0.444363954858E+03 -0.71217E-02 -0.92339E-03 1904 0.277E-01 0.366E-01
DAV: 16 -0.444364687643E+03 -0.73278E-03 -0.31387E-03 1968 0.163E-01 0.170E-01
DAV: 17 -0.444365976419E+03 -0.12888E-02 -0.74985E-04 1944 0.701E-02 0.895E-02
DAV: 18 -0.444367560036E+03 -0.15836E-02 -0.48465E-04 1992 0.553E-02 0.171E-01
DAV: 19 -0.444369275511E+03 -0.17155E-02 -0.51192E-04 1880 0.595E-02 0.794E-02
DAV: 20 -0.444370329433E+03 -0.10539E-02 -0.20223E-04 1928 0.489E-02 0.422E-02
DAV: 21 -0.444371154622E+03 -0.82519E-03 -0.20033E-04 1920 0.370E-02 0.588E-02
DAV: 22 -0.444371919307E+03 -0.76469E-03 -0.10567E-04 1840 0.237E-02 0.430E-02
DAV: 23 -0.444372499796E+03 -0.58049E-03 -0.10060E-04 1848 0.213E-02 0.331E-02
DAV: 24 -0.444372727959E+03 -0.22816E-03 -0.27263E-05 1568 0.161E-02 0.117E-02
DAV: 25 -0.444372807774E+03 -0.79815E-04 -0.37729E-05 1632 0.151E-02 0.847E-03
DAV: 26 -0.444372827138E+03 -0.19365E-04 -0.29566E-06 936 0.655E-03 0.580E-03
DAV: 27 -0.444372861866E+03 -0.34727E-04 -0.82672E-06 1048 0.758E-03 0.349E-03
DAV: 28 -0.444372890049E+03 -0.28184E-04 -0.15018E-06 1072 0.286E-03 0.233E-03
DAV: 29 -0.444372908561E+03 -0.18512E-04 -0.83784E-07 1032 0.181E-03 0.186E-03
DAV: 30 -0.444372915826E+03 -0.72649E-05 -0.55723E-07 936 0.200E-03
1 F= -.44437292E+03 E0= -.44436671E+03 d E =-.186268E-01