[Wien] rhombohedral structures in XCrysDen

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Thu Mar 18 11:09:50 CET 2004


> What's the best way to view rhombohedral structures in XCrysDen?
> In case.struct, atom positions are in rhombohedral coordinates, the
lattice type says 'R', but
> lattice constants are hexagonal ...  Is this a problem for XCrysDen?

It shouldn't be a problem. XCrysDen reads WIEN input (with all its
peculiarities) and translates it to its own internal conventions before
proceeding. I'm pretty sure I displayed R-lattices before without problem.

Stefaan




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