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Original Articles

Non-recursive chadi-cohen integration over the brillouin zone of cubic crystals

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Pages 551-559 | Received 07 Feb 2001, Published online: 20 Aug 2006
 

Abstract

We give closed-form non-recursive formulae for the Chadi-Cohen sets of special points associated with the bcc and fcc symmetries. The expressions are valid for arbitrary order n, which enters them as a parameter. This ameliorates the situation of the Chadi-Cohen method of integration over Brillouin zones, whose application to high-precision calculations has been severely limited by the difficulty of generating sets of special points of order higher than n = 2.

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