iterations/neb0_image08_iter68_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 0.210204470581E+04 0.21020E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.142049849597E+03 -0.22441E+04 -0.21539E+04 2168 0.262E+02
DAV: 3 -0.466225324939E+03 -0.32418E+03 -0.32087E+03 1824 0.108E+02
DAV: 4 -0.479039246577E+03 -0.12814E+02 -0.12762E+02 1992 0.228E+01
DAV: 5 -0.479501331777E+03 -0.46209E+00 -0.46185E+00 2088 0.381E+00 0.427E+01
DAV: 6 -0.447423522911E+03 0.32078E+02 -0.14363E+02 2024 0.308E+01 0.271E+01
DAV: 7 -0.448614769585E+03 -0.11912E+01 -0.65440E+01 1896 0.110E+01 0.137E+01
DAV: 8 -0.446639662947E+03 0.19751E+01 -0.86232E+00 2488 0.804E+00 0.101E+01
DAV: 9 -0.446720579994E+03 -0.80917E-01 -0.19152E+01 2064 0.453E+00 0.556E+00
DAV: 10 -0.445863026640E+03 0.85755E+00 -0.90055E-01 2272 0.431E+00 0.394E+00
DAV: 11 -0.445911873507E+03 -0.48847E-01 -0.24258E+00 1912 0.181E+00 0.417E+00
DAV: 12 -0.445817700288E+03 0.94173E-01 -0.16288E+00 2040 0.113E+00 0.259E+00
DAV: 13 -0.445843894578E+03 -0.26194E-01 -0.98707E-01 2072 0.739E-01 0.299E+00
DAV: 14 -0.445789064810E+03 0.54830E-01 -0.35187E-01 2032 0.654E-01 0.485E-01
DAV: 15 -0.445799652879E+03 -0.10588E-01 -0.17085E-02 2000 0.272E-01 0.781E-01
DAV: 16 -0.445797418056E+03 0.22348E-02 -0.80666E-03 1944 0.144E-01 0.173E-01
DAV: 17 -0.445800057649E+03 -0.26396E-02 -0.18075E-03 1888 0.975E-02 0.641E-02
DAV: 18 -0.445802436718E+03 -0.23791E-02 -0.98409E-04 2032 0.605E-02 0.250E-01
DAV: 19 -0.445803986591E+03 -0.15499E-02 -0.72961E-04 2112 0.757E-02 0.716E-02
DAV: 20 -0.445805889272E+03 -0.19027E-02 -0.70796E-04 1976 0.652E-02 0.759E-02
DAV: 21 -0.445806523917E+03 -0.63465E-03 -0.19615E-04 2016 0.383E-02 0.291E-02
DAV: 22 -0.445807074741E+03 -0.55082E-03 -0.17159E-04 1808 0.285E-02 0.251E-02
DAV: 23 -0.445807417914E+03 -0.34317E-03 -0.78132E-05 1704 0.188E-02 0.689E-02
DAV: 24 -0.445807495744E+03 -0.77831E-04 -0.57847E-05 1392 0.189E-02 0.209E-02
DAV: 25 -0.445807595330E+03 -0.99586E-04 -0.17993E-05 1216 0.101E-02 0.652E-03
DAV: 26 -0.445807637625E+03 -0.42294E-04 -0.52295E-06 1000 0.557E-03 0.171E-02
DAV: 27 -0.445807661801E+03 -0.24176E-04 -0.42491E-06 976 0.577E-03 0.250E-03
DAV: 28 -0.445807680076E+03 -0.18275E-04 -0.22029E-06 1000 0.353E-03 0.160E-03
DAV: 29 -0.445807691101E+03 -0.11024E-04 -0.78303E-07 952 0.170E-03 0.380E-03
DAV: 30 -0.445807696909E+03 -0.58080E-05 -0.37898E-07 936 0.154E-03
1 F= -.44580770E+03 E0= -.44578081E+03 d E =-.806622E-01