iterations/neb0_image08_iter56_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 0.210286493844E+04 0.21029E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142095646626E+03 -0.22450E+04 -0.21546E+04 2176 0.262E+02
DAV: 3 -0.466168685100E+03 -0.32407E+03 -0.32079E+03 1824 0.108E+02
DAV: 4 -0.478932167303E+03 -0.12763E+02 -0.12712E+02 1984 0.227E+01
DAV: 5 -0.479401069890E+03 -0.46890E+00 -0.46867E+00 2120 0.383E+00 0.427E+01
DAV: 6 -0.447612319463E+03 0.31789E+02 -0.14379E+02 1992 0.311E+01 0.271E+01
DAV: 7 -0.448381975844E+03 -0.76966E+00 -0.58919E+01 1848 0.110E+01 0.137E+01
DAV: 8 -0.446903893328E+03 0.14781E+01 -0.85874E+00 2472 0.791E+00 0.999E+00
DAV: 9 -0.446468620847E+03 0.43527E+00 -0.14091E+01 2032 0.449E+00 0.555E+00
DAV: 10 -0.446051901489E+03 0.41672E+00 -0.85358E-01 2216 0.433E+00 0.574E+00
DAV: 11 -0.445827965738E+03 0.22394E+00 -0.35136E+00 1912 0.205E+00 0.357E+00
DAV: 12 -0.445797571411E+03 0.30394E-01 -0.13646E+00 1928 0.110E+00 0.246E+00
DAV: 13 -0.445800560291E+03 -0.29889E-02 -0.72475E-01 1992 0.690E-01 0.239E+00
DAV: 14 -0.445771656470E+03 0.28904E-01 -0.25516E-01 1912 0.562E-01 0.529E-01
DAV: 15 -0.445777861491E+03 -0.62050E-02 -0.14095E-02 1968 0.259E-01 0.456E-01
DAV: 16 -0.445777692790E+03 0.16870E-03 -0.40223E-03 1880 0.116E-01 0.229E-01
DAV: 17 -0.445779259495E+03 -0.15667E-02 -0.16680E-03 1984 0.904E-02 0.102E-01
DAV: 18 -0.445781889003E+03 -0.26295E-02 -0.40181E-04 1912 0.607E-02 0.782E-02
DAV: 19 -0.445784342207E+03 -0.24532E-02 -0.59569E-04 1928 0.629E-02 0.216E-01
DAV: 20 -0.445785229725E+03 -0.88752E-03 -0.59659E-04 2008 0.642E-02 0.122E-01
DAV: 21 -0.445786536534E+03 -0.13068E-02 -0.28893E-04 1776 0.365E-02 0.748E-02
DAV: 22 -0.445787036756E+03 -0.50022E-03 -0.15920E-04 1840 0.301E-02 0.274E-02
DAV: 23 -0.445787253437E+03 -0.21668E-03 -0.69054E-05 1784 0.224E-02 0.226E-02
DAV: 24 -0.445787382454E+03 -0.12902E-03 -0.33450E-05 1552 0.161E-02 0.125E-02
DAV: 25 -0.445787443762E+03 -0.61308E-04 -0.10202E-05 1056 0.796E-03 0.144E-02
DAV: 26 -0.445787503223E+03 -0.59461E-04 -0.40602E-06 1064 0.563E-03 0.133E-02
DAV: 27 -0.445787543035E+03 -0.39812E-04 -0.29477E-06 1080 0.441E-03 0.524E-03
DAV: 28 -0.445787560332E+03 -0.17297E-04 -0.15619E-06 936 0.322E-03 0.699E-03
DAV: 29 -0.445787567233E+03 -0.69008E-05 -0.69508E-07 960 0.201E-03
1 F= -.44578757E+03 E0= -.44576157E+03 d E =-.780026E-01