[Wien] rhombohedral structures in XCrysDen

[Jorissen Kevin]

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
	
	_______________________________________________
	Wien mailing list
	Wien at zeus.theochem.tuwien.ac.at
	http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
	
	

-------------- next part --------------
A non-text attachment was scrubbed...
Name: not available
Type: application/ms-tnef
Size: 4574 bytes
Desc: not available
Url : http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20040318/6970ab00/attachment.bin