A method is presented for calculating the structure constants of the Green's-function [or Korringa-Kohn-Rostoker (KKR)] method which is much more efficient than the conventional one. This approach will allow for a significant reduction in the computing effort expended in calculations of the electronic structure of perfect crystals and of random alloys by the KKR method.

• Received 3 July 1979

DOI:https://doi.org/10.1103/PhysRevB.21.3737