[Wien] Lattic Type for wz structure

Jorissen Kevin Kevin.Jorissen at ua.ac.be
Thu Jul 1 17:46:45 CEST 2004


I did w-GaN calculations in a H lattice.
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Rezaei Behrooz [mailto:b.rezaei at tabrizu.ac.ir] 
	Verzonden: wo 6/30/2004 5:23 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] Lattic Type for wz structure
	
	

	Dear Profe. P.Blaha
	Thank you very much for your reply,but I'm surprize because I have read
	from userguide file that 'F' notation is used for 'FCC' structure as a
	lattice type,not for wurtzite(wz)one.So please let me know which should
	I use for lattice type on wz structurer in struct file.where the aoms
	are located at:
	Atom 1 : (0,0,0) , (2/3,1/3,u)
	Atom 2 : (0,0,u) , (2/3,1/3,1/2+u)
	u=0.375 is the internal structural parameter.
	Thank you in advance.
	best regards,
	================================================================
	Behrooz Rezaei
	Research Institute for Applied Physics and Astronomy
	Tabriz University
	Tabriz, Iran
	Tel: +98-411-3393008
	Fax: +98-411-3347050
	Email: b.rezaei at tabrizu.ac.ir
	====================================================================
	
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