iterations/neb0_image09_iter32_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 0.209776094422E+04 0.20978E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142582950238E+03 -0.22403E+04 -0.21507E+04 2160 0.262E+02
DAV: 3 -0.466459291279E+03 -0.32388E+03 -0.32053E+03 1840 0.108E+02
DAV: 4 -0.479219326092E+03 -0.12760E+02 -0.12712E+02 1968 0.227E+01
DAV: 5 -0.479680436886E+03 -0.46111E+00 -0.46088E+00 2128 0.379E+00 0.428E+01
DAV: 6 -0.447098479112E+03 0.32582E+02 -0.14301E+02 2032 0.308E+01 0.272E+01
DAV: 7 -0.449046004972E+03 -0.19475E+01 -0.74948E+01 1896 0.111E+01 0.137E+01
DAV: 8 -0.446216997156E+03 0.28290E+01 -0.81337E+00 2424 0.801E+00 0.856E+00
DAV: 9 -0.446774757977E+03 -0.55776E+00 -0.14460E+01 1888 0.393E+00 0.482E+00
DAV: 10 -0.445982398162E+03 0.79236E+00 -0.61910E-01 2080 0.389E+00 0.346E+00
DAV: 11 -0.446102195902E+03 -0.11980E+00 -0.25993E+00 1928 0.169E+00 0.417E+00
DAV: 12 -0.445984843138E+03 0.11735E+00 -0.21399E+00 1968 0.133E+00 0.315E+00
DAV: 13 -0.446017871488E+03 -0.33028E-01 -0.16256E+00 2152 0.974E-01 0.350E+00
DAV: 14 -0.445930932238E+03 0.86939E-01 -0.41134E-01 1976 0.668E-01 0.377E-01
DAV: 15 -0.445941379535E+03 -0.10447E-01 -0.19447E-02 1960 0.266E-01 0.618E-01
DAV: 16 -0.445940810914E+03 0.56862E-03 -0.57082E-03 1856 0.155E-01 0.143E-01
DAV: 17 -0.445943004388E+03 -0.21935E-02 -0.19549E-03 1880 0.953E-02 0.165E-01
DAV: 18 -0.445946319501E+03 -0.33151E-02 -0.64527E-03 2024 0.817E-02 0.409E-01
DAV: 19 -0.445948082269E+03 -0.17628E-02 -0.89443E-03 2200 0.122E-01 0.325E-01
DAV: 20 -0.445949378541E+03 -0.12963E-02 -0.81681E-04 1848 0.556E-02 0.103E-01
DAV: 21 -0.445950375433E+03 -0.99689E-03 -0.52799E-04 1848 0.508E-02 0.456E-02
DAV: 22 -0.445950933511E+03 -0.55808E-03 -0.19398E-04 1856 0.316E-02 0.742E-02
DAV: 23 -0.445951144011E+03 -0.21050E-03 -0.30732E-05 1432 0.143E-02 0.673E-02
DAV: 24 -0.445951268277E+03 -0.12427E-03 -0.74140E-05 1656 0.191E-02 0.906E-03
DAV: 25 -0.445951402895E+03 -0.13462E-03 -0.16558E-05 1152 0.918E-03 0.215E-02
DAV: 26 -0.445951502325E+03 -0.99430E-04 -0.12061E-05 1184 0.623E-03 0.921E-03
DAV: 27 -0.445951530934E+03 -0.28610E-04 -0.20515E-06 944 0.391E-03 0.343E-03
DAV: 28 -0.445951560259E+03 -0.29324E-04 -0.25358E-06 1032 0.382E-03 0.332E-03
DAV: 29 -0.445951567008E+03 -0.67486E-05 -0.62919E-07 936 0.226E-03
1 F= -.44595157E+03 E0= -.44592535E+03 d E =-.786640E-01