[Pw_forum] How to output the symmetry operation matrix?
Paolo Giannozzi
giannozz at democritos.it
Tue Mar 9 11:48:00 CET 2010
ruizhi zhang wrote:
> I want to obtain ALL k-points in the whole Brillouin zone from the
> k-points in the irreducable Brillouin zone, as given in *.scf.out file
if you just need all k-vectors in the Brillouin Zone, you can use
auxiliary code kpoints.x; or just break the symmetry by e.g.
displacing one atom
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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