Determination of the Fourier coefficients of Green functions in solids requires the integration over the Brillouin zone of the reciprocal KKR matrix. This has singularities on the constant-energy surfaces for which the KKR equation is satisfied. Ray methods and the tetrahedral method are both considered and applied, as an example, to the particular case of copper at the Fermi energy. It is demonstrated that ray methods are not generally capable of achieving a high accuracy. With the tetrahedron approach various procedures are discussed that can optimise the efficiency of the calculation for both the principal-part integral and the residue.
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Coleridge et al. (1982) studied this question.
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