iterations/neb0_image04_iter30_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 0.209031487477E+04 0.20903E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.141556360891E+03 -0.22319E+04 -0.21409E+04 2136 0.262E+02
DAV: 3 -0.466270323377E+03 -0.32471E+03 -0.32133E+03 1872 0.108E+02
DAV: 4 -0.478528196106E+03 -0.12258E+02 -0.12207E+02 1960 0.222E+01
DAV: 5 -0.478971849942E+03 -0.44365E+00 -0.44342E+00 2112 0.372E+00 0.431E+01
DAV: 6 -0.447355391708E+03 0.31616E+02 -0.14597E+02 2032 0.315E+01 0.379E+01
DAV: 7 -0.454344484762E+03 -0.69891E+01 -0.29538E+02 1920 0.138E+01 0.209E+01
DAV: 8 -0.448279657506E+03 0.60648E+01 -0.83974E+00 1792 0.766E+00 0.127E+01
DAV: 9 -0.445796982107E+03 0.24827E+01 -0.18066E+01 2040 0.119E+01 0.995E+00
DAV: 10 -0.445013955756E+03 0.78303E+00 -0.37913E+00 1912 0.358E+00 0.103E+01
DAV: 11 -0.444264136425E+03 0.74982E+00 -0.17456E+00 2008 0.200E+00 0.464E+00
DAV: 12 -0.444584602850E+03 -0.32047E+00 -0.81074E+00 2136 0.299E+00 0.637E+00
DAV: 13 -0.444235832443E+03 0.34877E+00 -0.14540E+00 2208 0.265E+00 0.601E+00
DAV: 14 -0.444208552226E+03 0.27280E-01 -0.34101E+00 1872 0.136E+00 0.468E+00
DAV: 15 -0.444092366461E+03 0.11619E+00 -0.13715E+00 1920 0.104E+00 0.314E+00
DAV: 16 -0.444102118021E+03 -0.97516E-02 -0.76275E-01 1912 0.730E-01 0.256E+00
DAV: 17 -0.444071900300E+03 0.30218E-01 -0.16723E-01 2112 0.562E-01 0.187E+00
DAV: 18 -0.444074178605E+03 -0.22783E-02 -0.24003E-01 1872 0.376E-01 0.172E+00
DAV: 19 -0.444069326357E+03 0.48522E-02 -0.59053E-02 1936 0.251E-01 0.831E-01
DAV: 20 -0.444076106223E+03 -0.67799E-02 -0.44406E-03 1904 0.158E-01 0.589E-01
DAV: 21 -0.444076469895E+03 -0.36367E-03 -0.12490E-03 1856 0.747E-02 0.332E-01
DAV: 22 -0.444080709215E+03 -0.42393E-02 -0.24765E-03 1960 0.783E-02 0.172E-01
DAV: 23 -0.444083838646E+03 -0.31294E-02 -0.11633E-03 1904 0.588E-02 0.713E-02
DAV: 24 -0.444085785691E+03 -0.19470E-02 -0.54434E-04 1776 0.371E-02 0.165E-01
DAV: 25 -0.444085900590E+03 -0.11490E-03 -0.47023E-04 1680 0.250E-02 0.159E-01
DAV: 26 -0.444086399585E+03 -0.49900E-03 -0.24226E-04 1632 0.220E-02 0.788E-02
DAV: 27 -0.444086714471E+03 -0.31489E-03 -0.16983E-04 1504 0.154E-02 0.212E-02
DAV: 28 -0.444086829820E+03 -0.11535E-03 -0.12913E-05 1216 0.888E-03 0.155E-02
DAV: 29 -0.444086899628E+03 -0.69808E-04 -0.11313E-05 1184 0.811E-03 0.136E-02
DAV: 30 -0.444086917363E+03 -0.17736E-04 -0.23911E-06 936 0.341E-03 0.105E-02
DAV: 31 -0.444086942200E+03 -0.24836E-04 -0.55025E-06 1032 0.537E-03 0.810E-03
DAV: 32 -0.444086953698E+03 -0.11498E-04 -0.16925E-06 936 0.318E-03 0.494E-03
DAV: 33 -0.444086958652E+03 -0.49538E-05 -0.41556E-07 936 0.189E-03
1 F= -.44408696E+03 E0= -.44406255E+03 d E =-.732220E-01