[Wien] [wien] symmetry operations to generate all k points from IBZ?
BJ Kim
bjkim6 at gmail.com
Tue Feb 3 00:17:40 CET 2009
Dear Wien2k users,
I am writing a macro to plot the Fermi surface from the data file of E(k)
for k points in the irreducible Brillouin zone. Can anybody show me how to
generate all other k points using symmetry operations listed in the .struct
file? Or, is there a way to generate .klist for all k-points in the
Brillouin zone to just compute by brute force the whole BZ?
Best,
BJ
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