iterations/neb0_image08_iter16_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 0.210005124215E+04 0.21001E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.138170496895E+03 -0.22382E+04 -0.21481E+04 2144 0.262E+02
DAV: 3 -0.465772639197E+03 -0.32760E+03 -0.32421E+03 1864 0.108E+02
DAV: 4 -0.478280084862E+03 -0.12507E+02 -0.12458E+02 1944 0.226E+01
DAV: 5 -0.478761916514E+03 -0.48183E+00 -0.48162E+00 2192 0.386E+00 0.426E+01
DAV: 6 -0.447653953909E+03 0.31108E+02 -0.14502E+02 2008 0.311E+01 0.270E+01
DAV: 7 -0.447433344160E+03 0.22061E+00 -0.30835E+01 1928 0.116E+01 0.135E+01
DAV: 8 -0.447098402240E+03 0.33494E+00 -0.76887E+00 2456 0.837E+00 0.989E+00
DAV: 9 -0.445542716032E+03 0.15557E+01 -0.59679E+00 2056 0.459E+00 0.440E+00
DAV: 10 -0.446018206571E+03 -0.47549E+00 -0.74929E+00 2096 0.373E+00 0.607E+00
DAV: 11 -0.445416763649E+03 0.60144E+00 -0.23358E+00 2144 0.235E+00 0.119E+00
DAV: 12 -0.445453350780E+03 -0.36587E-01 -0.22220E-01 1912 0.941E-01 0.140E+00
DAV: 13 -0.445450034683E+03 0.33161E-02 -0.11881E-01 1864 0.504E-01 0.939E-01
DAV: 14 -0.445459127883E+03 -0.90932E-02 -0.87298E-02 2216 0.415E-01 0.111E+00
DAV: 15 -0.445459147277E+03 -0.19394E-04 -0.80885E-02 2192 0.347E-01 0.968E-01
DAV: 16 -0.445455027048E+03 0.41202E-02 -0.88467E-03 1888 0.197E-01 0.136E-01
DAV: 17 -0.445457940131E+03 -0.29131E-02 -0.20719E-03 1904 0.106E-01 0.677E-02
DAV: 18 -0.445459618943E+03 -0.16788E-02 -0.74551E-04 2000 0.595E-02 0.191E-01
DAV: 19 -0.445461567247E+03 -0.19483E-02 -0.83660E-04 1800 0.537E-02 0.369E-02
DAV: 20 -0.445463591619E+03 -0.20244E-02 -0.43107E-04 1872 0.458E-02 0.770E-02
DAV: 21 -0.445464848324E+03 -0.12567E-02 -0.85689E-04 2024 0.604E-02 0.157E-01
DAV: 22 -0.445465142256E+03 -0.29393E-03 -0.58703E-04 1824 0.383E-02 0.609E-02
DAV: 23 -0.445465288703E+03 -0.14645E-03 -0.12011E-04 1656 0.193E-02 0.112E-02
DAV: 24 -0.445465399392E+03 -0.11069E-03 -0.20056E-05 1160 0.889E-03 0.172E-02
DAV: 25 -0.445465474410E+03 -0.75018E-04 -0.78522E-06 1128 0.853E-03 0.302E-03
DAV: 26 -0.445465516263E+03 -0.41853E-04 -0.77275E-06 1016 0.639E-03 0.432E-03
DAV: 27 -0.445465539835E+03 -0.23573E-04 -0.19298E-06 984 0.325E-03 0.640E-03
DAV: 28 -0.445465552281E+03 -0.12446E-04 -0.24865E-06 952 0.416E-03 0.127E-03
DAV: 29 -0.445465558034E+03 -0.57526E-05 -0.49836E-07 936 0.189E-03
1 F= -.44546556E+03 E0= -.44544242E+03 d E =-.694135E-01