[Wien] "Slab-structure" using WIEN2k

[Jorissen Kevin]

Hello Bing Zhou,
 
the supercell program of WIEN can do exactly what you need.  I don't think it's in the w2web browser yet (?), but you can use it on the commandline (just type 'x supercell' in your working directory) and it's mentioned in the UG (and in the archives of the mailing list).
 
Good luck,
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Bing Zhou [mailto:umbingz at cc.UManitoba.CA] 
	Verzonden: vr 10/17/2003 10:21 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] "Slab-structure" using WIEN2k
	
	

	Dear All,
	
	Now I try to calculate the electronic properties for my minerals with
	layer structure. I am wondering if I can setup a "slab-structure", i.e.,
	infinite atoms in x, y plane, with a certain thickness or layers of atoms
	in z direction using WIEN2k?
	
	Any suggestions or comments are highly appreciated, thank you in
	advance!
	
	Best wishes!
	
	
	Bing Zhou
	Dept. of Geol. Sc.
	The Univ. of Manitoba
	Canada R3T 2N2
	Tel: (204)474-8395
	
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