[Pw_forum] k point selection.

[Paolo Giannozzi]

On Mar 11, 2008, at 13:09 , Li yan-ling wrote:

> By the way, if one of you can help me generate a k point path about
> hexagonal crystal with P63/mcc sacegroup(No. 194), it's my pleasure.

the algorithm for automatic k-point generation is absolutely general.
You just have to specify how dense the grid should be along the
three axis (respecting symmetry, of course)

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