[Pw_forum] how to choose high-symmetry q points in the first irreducible Brillouin zone

Paolo Giannozzi giannozz at nest.sns.it
Tue Nov 6 14:06:27 CET 2007


On Nov 6, 2007, at 13:48 , Guoying Gao wrote:

> [...] I didn't know how to choose the high-symmetry qpoints
> in the first irreducible Brillouin zone. Does anyone know this?

it is explained in textbooks. One book that contains everything
you may want to know about symmetry in solids is "The
mathematical theory of symmetry in solids", by Bradley
and Cracknell. It is a tough book, though.

Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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