./iterations/neb0_image01_iter12_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 0.208725795450E+04 0.20873E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.140910491670E+03 -0.22282E+04 -0.21408E+04 2136 0.261E+02
DAV: 3 -0.461855974765E+03 -0.32095E+03 -0.31712E+03 1912 0.107E+02
DAV: 4 -0.475533206054E+03 -0.13677E+02 -0.13472E+02 1952 0.227E+01
DAV: 5 -0.476030610872E+03 -0.49740E+00 -0.49705E+00 2112 0.382E+00 0.433E+01
DAV: 6 -0.457350415851E+03 0.18680E+02 -0.20139E+02 2048 0.317E+01 0.411E+01
DAV: 7 -0.450458477973E+03 0.68919E+01 -0.42764E+01 1768 0.139E+01 0.201E+01
DAV: 8 -0.445886701532E+03 0.45718E+01 -0.80777E+00 1776 0.710E+00 0.115E+01
DAV: 9 -0.446284400154E+03 -0.39770E+00 -0.16983E+01 2036 0.833E+00 0.976E+00
DAV: 10 -0.445803650138E+03 0.48075E+00 -0.15338E+00 1856 0.224E+00 0.850E+00
DAV: 11 -0.445071648093E+03 0.73200E+00 -0.51207E-01 1968 0.163E+00 0.644E+00
DAV: 12 -0.445353270688E+03 -0.28162E+00 -0.56153E+00 2088 0.315E+00 0.141E+01
DAV: 13 -0.444326562174E+03 0.10267E+01 -0.72448E-01 1968 0.244E+00 0.352E+00
DAV: 14 -0.444423286050E+03 -0.96724E-01 -0.17862E-01 1920 0.903E-01 0.241E+00
DAV: 15 -0.444382142100E+03 0.41144E-01 -0.17202E-02 1864 0.349E-01 0.137E+00
DAV: 16 -0.444378123819E+03 0.40183E-02 -0.54452E-03 1960 0.258E-01 0.582E-01
DAV: 17 -0.444387290397E+03 -0.91666E-02 -0.92494E-03 1896 0.310E-01 0.870E-01
DAV: 18 -0.444384582628E+03 0.27078E-02 -0.67593E-02 1840 0.251E-01 0.218E-01
DAV: 19 -0.444390120377E+03 -0.55377E-02 -0.19015E-03 1912 0.116E-01 0.209E-01
DAV: 20 -0.444390404829E+03 -0.28445E-03 -0.98752E-04 1888 0.759E-02 0.132E-01
DAV: 21 -0.444391539726E+03 -0.11349E-02 -0.37826E-04 2384 0.703E-02 0.826E-02
DAV: 22 -0.444392793396E+03 -0.12537E-02 -0.42385E-04 1824 0.494E-02 0.682E-02
DAV: 23 -0.444393113987E+03 -0.32059E-03 -0.11452E-04 2032 0.289E-02 0.717E-02
DAV: 24 -0.444393540626E+03 -0.42664E-03 -0.16958E-04 1848 0.306E-02 0.706E-02
DAV: 25 -0.444393717128E+03 -0.17650E-03 -0.16773E-05 1336 0.136E-02 0.376E-02
DAV: 26 -0.444394197564E+03 -0.48044E-03 -0.11467E-04 1816 0.265E-02 0.171E-02
DAV: 27 -0.444394274670E+03 -0.77106E-04 -0.19157E-05 1352 0.993E-03 0.155E-02
DAV: 28 -0.444394308321E+03 -0.33650E-04 -0.63797E-06 1016 0.614E-03 0.118E-02
DAV: 29 -0.444394347493E+03 -0.39173E-04 -0.74028E-06 1240 0.606E-03 0.945E-03
DAV: 30 -0.444394368501E+03 -0.21008E-04 -0.40920E-06 1072 0.660E-03 0.339E-03
DAV: 31 -0.444394375767E+03 -0.72656E-05 -0.41276E-06 912 0.509E-03
1 F= -.44439438E+03 E0= -.44438786E+03 d E =-.195534E-01