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

Table 3

Dilatation dependence of the cross-section 𝑑ln𝐴/𝑑ln𝑉 evaluated for 𝑎=3.6030 Å.

	[Ar]vwn	[Ne]vwn	[Ar]pbe	[Ne]pbe	[Ar]pw91	[Ne]pw91	exp.
⟨100⟩ belly	−.6422	−.6417	−.6429	−.6422	−.6418	−.6411	−.628
⟨111⟩belly	−.6085	−.6102	−.6098	−.6085	−.6092	−.6112	−.598
⟨111⟩neck	−2.3641	−2.3555	−2.2763	−2.3641	−2.3562	−2.3521	−2.81
⟨110⟩dogsbone	−.5641	−.5664	−.5668	−.5641	−.5653	−.5682	−.574
⟨100⟩rosette	−.6426	−.6404	−.6452	−.6426	−.6418	−.6390	−.628