[Wien] rhombohedral structures in XCrysDen

Jorissen Kevin Kevin.Jorissen at ua.ac.be
Thu Mar 18 16:06:34 CET 2004


You are right.  Never underestimate the power of XCrysDen ;-)
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Stefaan Cottenier [mailto:Stefaan.Cottenier at fys.kuleuven.ac.be] 
	Verzonden: do 3/18/2004 11:09 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: Re: [Wien] rhombohedral structures in XCrysDen
	
	



	> 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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