Research Article

LDA and GGA Investigations of Some Ground-State Properties and the Compton Profile of Copper with the All-Electron MAPW Method

Table 2

Extremal areas of cross-sections of the Fermi surface in units of the free electron cross section evaluated for 𝑎 = 3 . 6 0 3 0  Å.

[Ar]vwn [ Ne ] vwn [ Ar ] pbe [ Ne ] pbe [ Ar ] pw91 [ Ne ] pw91 exp.

1 0 0 belly.97320.97318.97226.97320.97285.97289.98062
1 1 1 belly.94309.94350.94268.94309.94337.94398.94983
1 1 1 neck.04032.03997.04143.04032.04035.03977.03555
1 1 0 dogsbone.40658.40684.40613.40658.40670.40711.41045
1 0 0 rosette.40418.40410.40362.40418.40392.40386.40241