Special points for two-dimensional Brillouin zone or Wigner–Seitz cell integrations

Publisher Website
Google Scholar
Abstract
Various methods of generating special point formulae for two–dimensional Brillouin zone or Wigner–Seitz cell integrations, useful for the calculation of surface properties, are compared. The direct solution of the coupled non-linear transcendental equations, which determine the special points and their weights, by means of a least squares method is found to be feasible for small numbers of sample points and yields the most efficient formulae. For large numbers of sample points the product Gauss–Chebychev method is most practical.

This publication has 0 references indexed in Scilit: