WIEN2k-FAQ: symmetry for monoclinic lattice
©2001 by P. Blaha, K. Schwarz and J. Luitz
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Problem: Symmetry does not find any pointgroup at all for a monoclinic lattice.
Fix: (unfortunately very ugly)
- Change the monoclinic angle to a value close to 90 degree (either slightly above or below 90).
- Run symmetry to find all pointgroups.
- Change back to your original value.
Peter Blaha,