iterations/neb0_image09_iter68_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 0.209636074893E+04 0.20964E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.139524136631E+03 -0.22359E+04 -0.21436E+04 2128 0.262E+02
DAV: 3 -0.465943883102E+03 -0.32642E+03 -0.32289E+03 1832 0.108E+02
DAV: 4 -0.479207210481E+03 -0.13263E+02 -0.13206E+02 1968 0.230E+01
DAV: 5 -0.479699078139E+03 -0.49187E+00 -0.49160E+00 2120 0.387E+00 0.427E+01
DAV: 6 -0.447059710672E+03 0.32639E+02 -0.14312E+02 2024 0.307E+01 0.271E+01
DAV: 7 -0.449168726003E+03 -0.21090E+01 -0.77323E+01 1944 0.111E+01 0.137E+01
DAV: 8 -0.446172654940E+03 0.29961E+01 -0.81408E+00 2440 0.805E+00 0.795E+00
DAV: 9 -0.446664472533E+03 -0.49182E+00 -0.10410E+01 1824 0.363E+00 0.446E+00
DAV: 10 -0.446109716443E+03 0.55476E+00 -0.50554E-01 2096 0.368E+00 0.477E+00
DAV: 11 -0.446266171557E+03 -0.15646E+00 -0.45457E+00 2016 0.193E+00 0.406E+00
DAV: 12 -0.445992516975E+03 0.27365E+00 -0.79141E-01 2064 0.145E+00 0.194E+00
DAV: 13 -0.446011098225E+03 -0.18581E-01 -0.61589E-01 1936 0.805E-01 0.218E+00
DAV: 14 -0.445979385708E+03 0.31713E-01 -0.85538E-02 1856 0.465E-01 0.295E-01
DAV: 15 -0.445984560958E+03 -0.51752E-02 -0.17894E-02 2040 0.271E-01 0.527E-01
DAV: 16 -0.445985540627E+03 -0.97967E-03 -0.11445E-02 1864 0.155E-01 0.188E-01
DAV: 17 -0.445987559679E+03 -0.20191E-02 -0.22332E-03 1864 0.832E-02 0.546E-02
DAV: 18 -0.445991303574E+03 -0.37439E-02 -0.12278E-03 1856 0.845E-02 0.467E-02
DAV: 19 -0.445992797065E+03 -0.14935E-02 -0.57222E-04 1952 0.481E-02 0.355E-02
DAV: 20 -0.445993695921E+03 -0.89886E-03 -0.16589E-04 1848 0.267E-02 0.798E-02
DAV: 21 -0.445994743851E+03 -0.10479E-02 -0.12710E-03 2032 0.404E-02 0.147E-01
DAV: 22 -0.445994844036E+03 -0.10019E-03 -0.64448E-04 1760 0.257E-02 0.182E-02
DAV: 23 -0.445995013865E+03 -0.16983E-03 -0.87352E-05 1360 0.128E-02 0.542E-02
DAV: 24 -0.445995146735E+03 -0.13287E-03 -0.18774E-04 1688 0.210E-02 0.468E-02
DAV: 25 -0.445995225408E+03 -0.78674E-04 -0.21386E-05 1128 0.100E-02 0.219E-02
DAV: 26 -0.445995288624E+03 -0.63216E-04 -0.99553E-06 1128 0.788E-03 0.322E-02
DAV: 27 -0.445995300687E+03 -0.12063E-04 -0.22287E-05 968 0.633E-03 0.608E-03
DAV: 28 -0.445995324694E+03 -0.24006E-04 -0.29216E-06 1000 0.410E-03 0.199E-03
DAV: 29 -0.445995333061E+03 -0.83673E-05 -0.82506E-07 936 0.193E-03
1 F= -.44599533E+03 E0= -.44596872E+03 d E =-.798264E-01