iterations/neb0_image08_iter29_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 0.210464709984E+04 0.21046E+04 -0.11606E+05 1696 0.105E+03
DAV: 2 -0.140714504997E+03 -0.22454E+04 -0.21561E+04 2160 0.262E+02
DAV: 3 -0.466405871453E+03 -0.32569E+03 -0.32232E+03 1864 0.108E+02
DAV: 4 -0.478837862553E+03 -0.12432E+02 -0.12383E+02 1952 0.225E+01
DAV: 5 -0.479293446541E+03 -0.45558E+00 -0.45532E+00 2104 0.378E+00 0.429E+01
DAV: 6 -0.447684065851E+03 0.31609E+02 -0.14455E+02 1992 0.313E+01 0.271E+01
DAV: 7 -0.447758158404E+03 -0.74093E-01 -0.39351E+01 1840 0.112E+01 0.135E+01
DAV: 8 -0.447190458919E+03 0.56770E+00 -0.76319E+00 2496 0.809E+00 0.993E+00
DAV: 9 -0.445883711609E+03 0.13067E+01 -0.78330E+00 2024 0.454E+00 0.578E+00
DAV: 10 -0.446476176829E+03 -0.59247E+00 -0.66147E+00 2224 0.445E+00 0.647E+00
DAV: 11 -0.445694261289E+03 0.78192E+00 -0.56285E-01 1936 0.216E+00 0.349E+00
DAV: 12 -0.445706494806E+03 -0.12234E-01 -0.18783E+00 2008 0.171E+00 0.411E+00
DAV: 13 -0.445639106575E+03 0.67388E-01 -0.10254E+00 1896 0.966E-01 0.139E+00
DAV: 14 -0.445647276540E+03 -0.81700E-02 -0.12119E-01 1824 0.408E-01 0.136E+00
DAV: 15 -0.445669744425E+03 -0.22468E-01 -0.42834E-02 1928 0.398E-01 0.224E+00
DAV: 16 -0.445642962964E+03 0.26781E-01 -0.60264E-02 1992 0.291E-01 0.922E-01
DAV: 17 -0.445644978658E+03 -0.20157E-02 -0.24717E-02 2032 0.233E-01 0.336E-01
DAV: 18 -0.445648245019E+03 -0.32664E-02 -0.20190E-03 1904 0.134E-01 0.176E-01
DAV: 19 -0.445649380255E+03 -0.11352E-02 -0.39454E-03 1880 0.114E-01 0.218E-01
DAV: 20 -0.445650689590E+03 -0.13093E-02 -0.79245E-04 2024 0.800E-02 0.351E-01
DAV: 21 -0.445651611444E+03 -0.92185E-03 -0.30562E-03 2408 0.117E-01 0.120E-01
DAV: 22 -0.445653291711E+03 -0.16803E-02 -0.71847E-04 1840 0.642E-02 0.324E-02
DAV: 23 -0.445654397246E+03 -0.11055E-02 -0.40275E-04 1800 0.381E-02 0.497E-02
DAV: 24 -0.445654843925E+03 -0.44668E-03 -0.68900E-05 1720 0.173E-02 0.615E-02
DAV: 25 -0.445655051858E+03 -0.20793E-03 -0.19910E-05 1328 0.154E-02 0.437E-02
DAV: 26 -0.445655179206E+03 -0.12735E-03 -0.43649E-05 1560 0.148E-02 0.147E-02
DAV: 27 -0.445655215676E+03 -0.36470E-04 -0.16509E-05 984 0.705E-03 0.170E-02
DAV: 28 -0.445655253404E+03 -0.37728E-04 -0.66257E-06 1040 0.678E-03 0.542E-03
DAV: 29 -0.445655270857E+03 -0.17453E-04 -0.37804E-06 936 0.469E-03 0.305E-03
DAV: 30 -0.445655288308E+03 -0.17451E-04 -0.12817E-06 992 0.283E-03 0.241E-03
DAV: 31 -0.445655297541E+03 -0.92330E-05 -0.18674E-06 936 0.319E-03
1 F= -.44565530E+03 E0= -.44563093E+03 d E =-.731024E-01