iterations/neb0_image03_iter26_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 0.209901010418E+04 0.20990E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137372189284E+03 -0.22364E+04 -0.21464E+04 2144 0.262E+02
DAV: 3 -0.463999409961E+03 -0.32663E+03 -0.32137E+03 1872 0.108E+02
DAV: 4 -0.477188099644E+03 -0.13189E+02 -0.13137E+02 1960 0.230E+01
DAV: 5 -0.477664258685E+03 -0.47616E+00 -0.47591E+00 2088 0.385E+00 0.433E+01
DAV: 6 -0.451950182903E+03 0.25714E+02 -0.14679E+02 2024 0.318E+01 0.418E+01
DAV: 7 -0.454176502262E+03 -0.22263E+01 -0.12965E+02 1792 0.146E+01 0.219E+01
DAV: 8 -0.447703297357E+03 0.64732E+01 -0.98580E+00 1848 0.894E+00 0.136E+01
DAV: 9 -0.446642009616E+03 0.10613E+01 -0.16431E+01 2056 0.118E+01 0.120E+01
DAV: 10 -0.445821368689E+03 0.82064E+00 -0.41359E+00 1840 0.365E+00 0.107E+01
DAV: 11 -0.445306182356E+03 0.51519E+00 -0.34114E-01 2008 0.190E+00 0.977E+00
DAV: 12 -0.444550589354E+03 0.75559E+00 -0.75246E+00 2088 0.441E+00 0.105E+01
DAV: 13 -0.444386673177E+03 0.16392E+00 -0.59184E+00 2008 0.354E+00 0.605E+00
DAV: 14 -0.443997734340E+03 0.38894E+00 -0.10951E+00 1872 0.146E+00 0.129E+00
DAV: 15 -0.444027442595E+03 -0.29708E-01 -0.81620E-02 1896 0.635E-01 0.188E+00
DAV: 16 -0.444035579826E+03 -0.81372E-02 -0.22761E-02 1872 0.343E-01 0.118E+00
DAV: 17 -0.444039280102E+03 -0.37003E-02 -0.52831E-03 2032 0.183E-01 0.137E+00
DAV: 18 -0.444032077759E+03 0.72023E-02 -0.53457E-03 1904 0.238E-01 0.437E-01
DAV: 19 -0.444040659751E+03 -0.85820E-02 -0.28887E-03 1872 0.118E-01 0.183E-01
DAV: 20 -0.444042409145E+03 -0.17494E-02 -0.60815E-04 1952 0.858E-02 0.316E-01
DAV: 21 -0.444042560259E+03 -0.15111E-03 -0.43060E-04 1896 0.627E-02 0.570E-02
DAV: 22 -0.444044043356E+03 -0.14831E-02 -0.13133E-04 1800 0.274E-02 0.101E-01
DAV: 23 -0.444046006577E+03 -0.19632E-02 -0.50584E-04 1824 0.511E-02 0.113E-01
DAV: 24 -0.444046274534E+03 -0.26796E-03 -0.99510E-05 1808 0.236E-02 0.337E-02
DAV: 25 -0.444046509389E+03 -0.23485E-03 -0.43474E-05 1576 0.173E-02 0.279E-02
DAV: 26 -0.444046735198E+03 -0.22581E-03 -0.50901E-05 1824 0.194E-02 0.443E-02
DAV: 27 -0.444046785135E+03 -0.49938E-04 -0.11995E-05 1296 0.940E-03 0.170E-02
DAV: 28 -0.444046839731E+03 -0.54595E-04 -0.10972E-05 1168 0.100E-02 0.944E-03
DAV: 29 -0.444046861140E+03 -0.21409E-04 -0.45442E-06 944 0.590E-03 0.367E-03
DAV: 30 -0.444046880687E+03 -0.19547E-04 -0.18773E-06 984 0.387E-03 0.255E-03
DAV: 31 -0.444046889649E+03 -0.89617E-05 -0.14417E-06 936 0.348E-03
1 F= -.44404689E+03 E0= -.44403339E+03 d E =-.405023E-01