iterations/neb0_image03_iter55_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 0.209789030819E+04 0.20979E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.137898264009E+03 -0.22358E+04 -0.21449E+04 2152 0.262E+02
DAV: 3 -0.464049226265E+03 -0.32615E+03 -0.32059E+03 1944 0.108E+02
DAV: 4 -0.476846813753E+03 -0.12798E+02 -0.12755E+02 1952 0.226E+01
DAV: 5 -0.477297794451E+03 -0.45098E+00 -0.45077E+00 2144 0.375E+00 0.432E+01
DAV: 6 -0.453377783102E+03 0.23920E+02 -0.14782E+02 2024 0.318E+01 0.422E+01
DAV: 7 -0.453762222304E+03 -0.38444E+00 -0.83397E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447271037174E+03 0.64912E+01 -0.99041E+00 1864 0.852E+00 0.136E+01
DAV: 9 -0.447044780443E+03 0.22626E+00 -0.21192E+01 2016 0.110E+01 0.118E+01
DAV: 10 -0.446247820867E+03 0.79696E+00 -0.39119E+00 1824 0.348E+00 0.110E+01
DAV: 11 -0.445511910401E+03 0.73591E+00 -0.57683E-01 1936 0.192E+00 0.941E+00
DAV: 12 -0.445079516872E+03 0.43239E+00 -0.54175E+00 2080 0.455E+00 0.112E+01
DAV: 13 -0.444498704345E+03 0.58081E+00 -0.12122E+00 2032 0.396E+00 0.584E+00
DAV: 14 -0.444201002096E+03 0.29770E+00 -0.27006E-01 1816 0.113E+00 0.299E+00
DAV: 15 -0.444171936996E+03 0.29065E-01 -0.50827E-01 1920 0.931E-01 0.234E+00
DAV: 16 -0.444200681414E+03 -0.28744E-01 -0.43729E-02 2048 0.716E-01 0.140E+00
DAV: 17 -0.444193261825E+03 0.74196E-02 -0.17314E-02 1824 0.347E-01 0.113E+00
DAV: 18 -0.444199359962E+03 -0.60981E-02 -0.44707E-03 1872 0.186E-01 0.123E+00
DAV: 19 -0.444195081474E+03 0.42785E-02 -0.85885E-03 2048 0.299E-01 0.815E-01
DAV: 20 -0.444196540129E+03 -0.14587E-02 -0.33797E-03 1824 0.138E-01 0.260E-01
DAV: 21 -0.444198060792E+03 -0.15207E-02 -0.44075E-04 2016 0.501E-02 0.184E-01
DAV: 22 -0.444199600245E+03 -0.15395E-02 -0.42150E-04 1920 0.649E-02 0.125E-01
DAV: 23 -0.444201218847E+03 -0.16186E-02 -0.23145E-04 1824 0.388E-02 0.183E-01
DAV: 24 -0.444201863416E+03 -0.64457E-03 -0.21683E-04 1816 0.343E-02 0.666E-02
DAV: 25 -0.444202532214E+03 -0.66880E-03 -0.81662E-05 1728 0.213E-02 0.729E-02
DAV: 26 -0.444202714512E+03 -0.18230E-03 -0.25700E-05 1456 0.143E-02 0.186E-02
DAV: 27 -0.444202919067E+03 -0.20455E-03 -0.24458E-05 1480 0.125E-02 0.195E-02
DAV: 28 -0.444202975540E+03 -0.56474E-04 -0.38242E-06 1120 0.524E-03 0.277E-02
DAV: 29 -0.444202997157E+03 -0.21616E-04 -0.55119E-06 960 0.734E-03 0.284E-02
DAV: 30 -0.444203014086E+03 -0.16929E-04 -0.36556E-06 1088 0.579E-03 0.802E-03
DAV: 31 -0.444203032282E+03 -0.18196E-04 -0.23421E-06 936 0.404E-03 0.318E-03
DAV: 32 -0.444203043438E+03 -0.11156E-04 -0.13545E-06 952 0.364E-03 0.141E-02
DAV: 33 -0.444203045874E+03 -0.24364E-05 -0.92764E-07 936 0.294E-03
1 F= -.44420305E+03 E0= -.44419197E+03 d E =-.332197E-01