iterations/neb0_image03_iter39_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 0.209861419233E+04 0.20986E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138977951244E+03 -0.22376E+04 -0.21478E+04 2160 0.262E+02
DAV: 3 -0.463977316673E+03 -0.32500E+03 -0.31950E+03 1896 0.107E+02
DAV: 4 -0.477060725107E+03 -0.13083E+02 -0.13034E+02 1960 0.228E+01
DAV: 5 -0.477526619578E+03 -0.46589E+00 -0.46567E+00 2120 0.381E+00 0.432E+01
DAV: 6 -0.452689679930E+03 0.24837E+02 -0.14721E+02 2032 0.318E+01 0.421E+01
DAV: 7 -0.453962574702E+03 -0.12729E+01 -0.12620E+02 1784 0.146E+01 0.219E+01
DAV: 8 -0.447503535500E+03 0.64590E+01 -0.97308E+00 1840 0.853E+00 0.136E+01
DAV: 9 -0.446864033994E+03 0.63950E+00 -0.15290E+01 2056 0.113E+01 0.119E+01
DAV: 10 -0.446055476345E+03 0.80856E+00 -0.40109E+00 1832 0.354E+00 0.107E+01
DAV: 11 -0.445495264259E+03 0.56021E+00 -0.35178E-01 1952 0.188E+00 0.958E+00
DAV: 12 -0.444374413634E+03 0.11209E+01 -0.24910E+00 2000 0.416E+00 0.982E+00
DAV: 13 -0.444573236053E+03 -0.19882E+00 -0.11574E+01 2008 0.349E+00 0.587E+00
DAV: 14 -0.444143786933E+03 0.42945E+00 -0.26256E-01 1840 0.127E+00 0.269E+00
DAV: 15 -0.444127389850E+03 0.16397E-01 -0.48005E-01 1912 0.851E-01 0.311E+00
DAV: 16 -0.444132575187E+03 -0.51853E-02 -0.48382E-02 1968 0.545E-01 0.110E+00
DAV: 17 -0.444157652762E+03 -0.25078E-01 -0.12017E-02 1856 0.354E-01 0.267E+00
DAV: 18 -0.444120576054E+03 0.37077E-01 -0.54112E-03 1848 0.284E-01 0.416E-01
DAV: 19 -0.444142493360E+03 -0.21917E-01 -0.79832E-03 1904 0.206E-01 0.945E-01
DAV: 20 -0.444138714216E+03 0.37791E-02 -0.17874E-03 1824 0.125E-01 0.208E-01
DAV: 21 -0.444141959977E+03 -0.32458E-02 -0.13911E-03 1872 0.938E-02 0.308E-01
DAV: 22 -0.444142984849E+03 -0.10249E-02 -0.36321E-04 1880 0.588E-02 0.445E-02
DAV: 23 -0.444144745923E+03 -0.17611E-02 -0.33431E-04 1824 0.458E-02 0.172E-01
DAV: 24 -0.444145061293E+03 -0.31537E-03 -0.11795E-04 1872 0.286E-02 0.544E-02
DAV: 25 -0.444145584843E+03 -0.52355E-03 -0.59032E-05 1664 0.226E-02 0.459E-02
DAV: 26 -0.444145770592E+03 -0.18575E-03 -0.39759E-05 1768 0.150E-02 0.727E-02
DAV: 27 -0.444145810436E+03 -0.39845E-04 -0.10452E-05 1264 0.107E-02 0.298E-02
DAV: 28 -0.444145887327E+03 -0.76890E-04 -0.12975E-05 1352 0.868E-03 0.100E-02
DAV: 29 -0.444145903686E+03 -0.16360E-04 -0.13377E-06 936 0.492E-03 0.541E-03
DAV: 30 -0.444145928764E+03 -0.25078E-04 -0.60374E-06 960 0.711E-03 0.169E-02
DAV: 31 -0.444145934848E+03 -0.60839E-05 -0.91126E-07 936 0.327E-03
1 F= -.44414593E+03 E0= -.44413349E+03 d E =-.373271E-01