[Pw_forum] k point selection.
giannozz at nest.sns.it
Wed Mar 26 16:06:26 CET 2008
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 Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the users