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- From: verstraete@pcpm.ucl.ac.be
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Reduced Brillouin Zone
- Date: Wed, 24 Aug 2005 18:17:41 +0200 (CEST)
To my knowledge there is no such routine: the IBZ is not calculated explicitly or geometrically. From the full kpoint grid, we take kpt #1 and eliminate all its images, then go on to kpt #2 and so on. The irreducible kpoints are inequivalent, but can be anywhere in the BZ. If you tell me what you are trying to do more specifically, it may help.
Bye
Matthieu
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Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be
PCPM, Boltzmann, pl. Croix du Sud, 1 tel: +32 10 47 33 59
B-1348 Louvain-la-Neuve Belgium fax: +32 10 47 34 52
- Reduced Brillouin Zone, Aldo Humberto Romero, 08/19/2005
- Re: [abinit-forum] Reduced Brillouin Zone, verstraete, 08/24/2005
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