Special points for Brillouin-zone integrations

Hendrik J. Monkhorst and James D. Pack
Phys. Rev. B 13, 5188 – Published 15 June 1976
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Abstract

A method is given for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector. The integration can be over the entire Brillouin zone or over specified portions thereof. This method also has applications in spectral and density-of-state calculations. The relationships to the Chadi-Cohen and Gilat-Raubenheimer methods are indicated.

  • Received 21 January 1976

DOI:https://doi.org/10.1103/PhysRevB.13.5188

©1976 American Physical Society

Authors & Affiliations

Hendrik J. Monkhorst and James D. Pack

  • Department of Physics, University of Utah, Salt Lake City, Utah 84112

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Issue

Vol. 13, Iss. 12 — 15 June 1976

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