iterations/neb0_image02_iter49_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 0.209721327121E+04 0.20972E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.140896235665E+03 -0.22381E+04 -0.21515E+04 2160 0.262E+02
DAV: 3 -0.462004849076E+03 -0.32111E+03 -0.31743E+03 1896 0.107E+02
DAV: 4 -0.475606733096E+03 -0.13602E+02 -0.13400E+02 1952 0.227E+01
DAV: 5 -0.476111817982E+03 -0.50508E+00 -0.50470E+00 2112 0.386E+00 0.434E+01
DAV: 6 -0.456778818065E+03 0.19333E+02 -0.19524E+02 2040 0.317E+01 0.410E+01
DAV: 7 -0.452198053122E+03 0.45808E+01 -0.42251E+01 1776 0.142E+01 0.219E+01
DAV: 8 -0.445355192086E+03 0.68429E+01 -0.99183E+00 1808 0.811E+00 0.106E+01
DAV: 9 -0.445504176345E+03 -0.14898E+00 -0.12834E+01 1944 0.675E+00 0.912E+00
DAV: 10 -0.444764478294E+03 0.73970E+00 -0.94664E-01 1872 0.236E+00 0.679E+00
DAV: 11 -0.446408665339E+03 -0.16442E+01 -0.22300E+01 2104 0.409E+00 0.139E+01
DAV: 12 -0.444185238576E+03 0.22234E+01 -0.10748E+00 2016 0.339E+00 0.148E+00
DAV: 13 -0.444350068658E+03 -0.16483E+00 -0.22778E-01 1880 0.830E-01 0.622E-01
DAV: 14 -0.444355935692E+03 -0.58670E-02 -0.11404E-02 2152 0.275E-01 0.410E-01
DAV: 15 -0.444363438106E+03 -0.75024E-02 -0.99492E-03 1904 0.290E-01 0.415E-01
DAV: 16 -0.444363746243E+03 -0.30814E-03 -0.34971E-03 1936 0.171E-01 0.179E-01
DAV: 17 -0.444365052523E+03 -0.13063E-02 -0.75073E-04 1952 0.686E-02 0.103E-01
DAV: 18 -0.444366596590E+03 -0.15441E-02 -0.53302E-04 2008 0.602E-02 0.181E-01
DAV: 19 -0.444368255028E+03 -0.16584E-02 -0.53435E-04 1880 0.618E-02 0.645E-02
DAV: 20 -0.444369316636E+03 -0.10616E-02 -0.22367E-04 1928 0.521E-02 0.502E-02
DAV: 21 -0.444370147659E+03 -0.83102E-03 -0.22641E-04 1912 0.400E-02 0.621E-02
DAV: 22 -0.444370977263E+03 -0.82960E-03 -0.10950E-04 1848 0.239E-02 0.463E-02
DAV: 23 -0.444371605071E+03 -0.62781E-03 -0.10815E-04 1832 0.220E-02 0.416E-02
DAV: 24 -0.444371875649E+03 -0.27058E-03 -0.34329E-05 1624 0.189E-02 0.133E-02
DAV: 25 -0.444371967337E+03 -0.91688E-04 -0.43520E-05 1672 0.157E-02 0.986E-03
DAV: 26 -0.444371991344E+03 -0.24006E-04 -0.36072E-06 936 0.766E-03 0.616E-03
DAV: 27 -0.444372027104E+03 -0.35760E-04 -0.97271E-06 1040 0.795E-03 0.375E-03
DAV: 28 -0.444372057999E+03 -0.30895E-04 -0.18099E-06 1088 0.283E-03 0.258E-03
DAV: 29 -0.444372077441E+03 -0.19441E-04 -0.96488E-07 1032 0.190E-03 0.212E-03
DAV: 30 -0.444372085241E+03 -0.78005E-05 -0.67806E-07 936 0.259E-03
1 F= -.44437209E+03 E0= -.44436588E+03 d E =-.186030E-01