iterations/neb0_image02_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 0.209727183608E+04 0.20973E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139744060745E+03 -0.22370E+04 -0.21497E+04 2152 0.262E+02
DAV: 3 -0.462158760164E+03 -0.32241E+03 -0.31868E+03 1912 0.107E+02
DAV: 4 -0.475683572418E+03 -0.13525E+02 -0.13340E+02 1960 0.226E+01
DAV: 5 -0.476162499145E+03 -0.47893E+00 -0.47856E+00 2104 0.380E+00 0.434E+01
DAV: 6 -0.456635219108E+03 0.19527E+02 -0.19464E+02 2040 0.317E+01 0.409E+01
DAV: 7 -0.452311247246E+03 0.43240E+01 -0.42776E+01 1776 0.141E+01 0.220E+01
DAV: 8 -0.445341172676E+03 0.69701E+01 -0.97768E+00 1816 0.793E+00 0.111E+01
DAV: 9 -0.446141313527E+03 -0.80014E+00 -0.31425E+01 1944 0.784E+00 0.948E+00
DAV: 10 -0.445519881852E+03 0.62143E+00 -0.13637E+00 1840 0.240E+00 0.836E+00
DAV: 11 -0.444405903977E+03 0.11140E+01 -0.28826E+00 2048 0.392E+00 0.605E+00
DAV: 12 -0.444577369756E+03 -0.17147E+00 -0.37592E+00 1936 0.264E+00 0.418E+00
DAV: 13 -0.444347843863E+03 0.22953E+00 -0.13662E-01 1888 0.906E-01 0.243E+00
DAV: 14 -0.444319766053E+03 0.28078E-01 -0.46642E-01 2048 0.585E-01 0.938E-01
DAV: 15 -0.444347960486E+03 -0.28194E-01 -0.11270E-01 1928 0.445E-01 0.132E+00
DAV: 16 -0.444340582430E+03 0.73781E-02 -0.17287E-01 1864 0.372E-01 0.558E-01
DAV: 17 -0.444348081843E+03 -0.74994E-02 -0.43311E-03 1872 0.164E-01 0.386E-01
DAV: 18 -0.444347291299E+03 0.79054E-03 -0.14605E-03 1984 0.102E-01 0.897E-02
DAV: 19 -0.444349248897E+03 -0.19576E-02 -0.48245E-04 1808 0.534E-02 0.218E-01
DAV: 20 -0.444350397345E+03 -0.11484E-02 -0.35393E-04 1952 0.637E-02 0.347E-02
DAV: 21 -0.444351637663E+03 -0.12403E-02 -0.20370E-04 1816 0.281E-02 0.221E-02
DAV: 22 -0.444352542275E+03 -0.90461E-03 -0.14183E-04 1912 0.336E-02 0.607E-02
DAV: 23 -0.444353204518E+03 -0.66224E-03 -0.13042E-04 1880 0.312E-02 0.846E-02
DAV: 24 -0.444353353525E+03 -0.14901E-03 -0.53212E-05 1632 0.185E-02 0.278E-02
DAV: 25 -0.444353426894E+03 -0.73369E-04 -0.27348E-05 1464 0.130E-02 0.830E-03
DAV: 26 -0.444353455497E+03 -0.28603E-04 -0.29455E-06 936 0.456E-03 0.538E-03
DAV: 27 -0.444353496807E+03 -0.41310E-04 -0.52507E-06 1104 0.535E-03 0.459E-03
DAV: 28 -0.444353518627E+03 -0.21820E-04 -0.14047E-06 1016 0.326E-03 0.237E-03
DAV: 29 -0.444353527133E+03 -0.85059E-05 -0.20057E-06 936 0.405E-03
1 F= -.44435353E+03 E0= -.44434734E+03 d E =-.185488E-01