./iterations/neb0_image07_iter15_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.801044886484E+03 0.80104E+03 -0.25846E+04 912 0.101E+03
DAV: 2 0.106445705488E+03 -0.69460E+03 -0.67610E+03 1112 0.280E+02
DAV: 3 -0.611488446138E+02 -0.16759E+03 -0.16700E+03 806 0.156E+02
DAV: 4 -0.663828374321E+02 -0.52340E+01 -0.52043E+01 912 0.299E+01
DAV: 5 -0.664463385846E+02 -0.63501E-01 -0.63345E-01 864 0.331E+00 0.191E+01
DAV: 6 -0.611619680317E+02 0.52844E+01 -0.20108E+01 872 0.260E+01 0.103E+01
DAV: 7 -0.609216451966E+02 0.24032E+00 -0.17137E+00 864 0.906E+00 0.410E+00
DAV: 8 -0.608445047771E+02 0.77140E-01 -0.22009E-01 928 0.386E+00 0.179E+00
DAV: 9 -0.608189122273E+02 0.25593E-01 -0.64247E-02 920 0.219E+00 0.494E-01
DAV: 10 -0.608113106470E+02 0.76016E-02 -0.18591E-02 928 0.113E+00 0.267E-01
DAV: 11 -0.608095190625E+02 0.17916E-02 -0.54929E-03 1000 0.739E-01 0.130E-01
DAV: 12 -0.608110497424E+02 -0.15307E-02 -0.26379E-03 864 0.516E-01 0.845E-02
DAV: 13 -0.608142240109E+02 -0.31743E-02 -0.15905E-03 928 0.378E-01 0.781E-02
DAV: 14 -0.608168273622E+02 -0.26034E-02 -0.83722E-04 928 0.188E-01 0.449E-02
DAV: 15 -0.608183242843E+02 -0.14969E-02 -0.13259E-04 928 0.596E-02 0.202E-02
DAV: 16 -0.608196209368E+02 -0.12967E-02 -0.10686E-04 848 0.428E-02 0.135E-02
DAV: 17 -0.608202614184E+02 -0.64048E-03 -0.46007E-05 776 0.314E-02 0.102E-02
DAV: 18 -0.608204481337E+02 -0.18672E-03 -0.10355E-05 672 0.174E-02 0.586E-03
DAV: 19 -0.608205362379E+02 -0.88104E-04 -0.62817E-06 616 0.177E-02 0.179E-03
DAV: 20 -0.608205641510E+02 -0.27913E-04 -0.18812E-06 624 0.681E-03 0.172E-03
DAV: 21 -0.608205752043E+02 -0.11053E-04 -0.61693E-07 499 0.489E-03 0.734E-04
DAV: 22 -0.608205881953E+02 -0.12991E-04 -0.65050E-07 585 0.396E-03 0.644E-04
DAV: 23 -0.608205897779E+02 -0.15826E-05 -0.97996E-08 475 0.187E-03
1 F= -.60820590E+02 E0= -.60824457E+02 d E =0.116006E-01