[Pw_forum] kpoints, ibz?
amei2 at illinois.edu
amei2 at illinois.edu
Thu Oct 24 04:11:25 CEST 2013
Dear QE Developers,
Does kpoints.x generate points within the irreducible Brillouin zone? If
so, why does the volume generated by the k points (as, for example, when
sampling a dense fcc mesh) not yield the typical "fcc Brillouin Zone
wedge", as exemplified by this image:
http://www.iue.tuwien.ac.at/phd/wessner/img438.png .
The same seems to be true for pwscf when plotting kpoints listed by setting
verbosity to high.
Sincere thanks,
Antonio
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