iterations/neb0_image04_iter9_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 0.208800532107E+04 0.20880E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.138624217691E+03 -0.22266E+04 -0.21344E+04 2136 0.261E+02
DAV: 3 -0.464390474929E+03 -0.32577E+03 -0.32213E+03 1880 0.107E+02
DAV: 4 -0.476909531974E+03 -0.12519E+02 -0.12468E+02 1936 0.225E+01
DAV: 5 -0.477405424341E+03 -0.49589E+00 -0.49561E+00 2152 0.387E+00 0.429E+01
DAV: 6 -0.447206317527E+03 0.30199E+02 -0.14622E+02 2048 0.321E+01 0.349E+01
DAV: 7 -0.451317370476E+03 -0.41111E+01 -0.10796E+02 1856 0.157E+01 0.194E+01
DAV: 8 -0.445073563954E+03 0.62438E+01 -0.90944E+00 1864 0.997E+00 0.121E+01
DAV: 9 -0.449287490790E+03 -0.42139E+01 -0.35335E+01 2088 0.156E+01 0.315E+01
DAV: 10 -0.444186923345E+03 0.51006E+01 -0.30944E+01 1824 0.503E+00 0.892E+00
DAV: 11 -0.443594607576E+03 0.59232E+00 -0.36536E+00 2016 0.211E+00 0.860E+00
DAV: 12 -0.443461053280E+03 0.13355E+00 -0.24814E+00 1968 0.112E+00 0.789E+00
DAV: 13 -0.443254006998E+03 0.20705E+00 -0.21147E-01 1944 0.952E-01 0.479E+00
DAV: 14 -0.443345969317E+03 -0.91962E-01 -0.48424E+00 2040 0.262E+00 0.719E+00
DAV: 15 -0.443063426010E+03 0.28254E+00 -0.27258E-01 1816 0.113E+00 0.643E+00
DAV: 16 -0.442990931196E+03 0.72495E-01 -0.90106E-01 2184 0.891E-01 0.181E+00
DAV: 17 -0.443086061812E+03 -0.95131E-01 -0.14274E-01 1928 0.648E-01 0.143E+00
DAV: 18 -0.443086343943E+03 -0.28213E-03 -0.61382E-02 1864 0.270E-01 0.605E-01
DAV: 19 -0.443101113740E+03 -0.14770E-01 -0.59430E-03 1928 0.158E-01 0.102E+00
DAV: 20 -0.443098968109E+03 0.21456E-02 -0.22259E-03 1904 0.950E-02 0.767E-01
DAV: 21 -0.443100317462E+03 -0.13494E-02 -0.84865E-03 2080 0.108E-01 0.320E-01
DAV: 22 -0.443104240442E+03 -0.39230E-02 -0.15312E-03 1880 0.617E-02 0.333E-01
DAV: 23 -0.443106761017E+03 -0.25206E-02 -0.52175E-03 1880 0.562E-02 0.360E-01
DAV: 24 -0.443108272552E+03 -0.15115E-02 -0.54629E-04 1792 0.499E-02 0.234E-01
DAV: 25 -0.443108931318E+03 -0.65877E-03 -0.13104E-04 1832 0.217E-02 0.196E-01
DAV: 26 -0.443109653771E+03 -0.72245E-03 -0.14402E-04 1616 0.161E-02 0.145E-01
DAV: 27 -0.443110065147E+03 -0.41138E-03 -0.94928E-05 1712 0.177E-02 0.804E-02
DAV: 28 -0.443110343895E+03 -0.27875E-03 -0.75226E-05 1360 0.124E-02 0.219E-02
DAV: 29 -0.443110491378E+03 -0.14748E-03 -0.23407E-05 1392 0.117E-02 0.208E-02
DAV: 30 -0.443110527259E+03 -0.35881E-04 -0.24304E-06 992 0.448E-03 0.233E-02
DAV: 31 -0.443110544963E+03 -0.17704E-04 -0.42526E-06 1056 0.388E-03 0.132E-02
DAV: 32 -0.443110562322E+03 -0.17358E-04 -0.43588E-06 952 0.287E-03 0.674E-03
DAV: 33 -0.443110570410E+03 -0.80883E-05 -0.90164E-07 960 0.194E-03
1 F= -.44311057E+03 E0= -.44308944E+03 d E =-.634037E-01