In WIEN2k, the non-symmorphic spaceroups are not implemented.
Normally, it is not a big problem. For instance, in Si (O_h^7 group) if you DO
NOT neglect spin there is only one irreducible representation in X point and
you have no problem at all (See Bir Pikus "Symmetry and strain-induced
Dear all,
I am trying to determine the parity of wavefunction at particular k points
(TRIM points), using x irrep. At Gamma point i could see the irreducible
representation successfully for each band, but for some point like (0.5, 0,
0) i am facing problem,
instead of showing each band
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