Brillouin-Zone Integration Schemes: An Efficiency Study for the Phonon Frequency Moments of the Harmonic, Solid, One-Component Plasma

摘要

The efficiency of four different Brillouin-zone integration schemes including the uniform mesh, special point method, special directions method, and Holas method are compared for calculating moments of the harmonic phonon frequencies of the solid one-component plasma. Very accurate values for the moments are also presented. The Holas method for which weights and integration points can easily be generated has roughly the same efficiency as the special directions method, which is much superior to the uniform mesh and special point methods for this problem. (ERA citation 06:011810)