[Wien] showing rhombohedral in hexagonal symmetry
Stefaan Cottenier
Stefaan.Cottenier at UGent.be
Thu Feb 6 07:37:14 CET 2014
> but i could not determine the positions in hexagonal axes
You don't need to. wien2k uses the somewhat illogical convention that
the lattice parameters should be the hexagonal ones, while the atomic
positions must be the rhombohedral ones.
For converting the lattice parameters, you can use the hex2rhomb and
rhomb2hex scripts.
Stefaan
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