[Wien] construction supercell

[Ercan Ucgun]

Dear Kevin;
You are saying that the lattice constant will be changed with 'x' parameter 
and that there are simple empirical laws giving a linear relation. Would you 
give me more information about these laws for example where can i find them. 
Also we have some experimental lattice constants for some concentrations. Is 
it possible to use this experimental ones in wien2k calculations and then 
try to find lowest enegy. Thanks in advance. Thank you Cottenier also.



Yrd. Doc. Dr. Ercan UCGUN
Dumlupinar Universitesi
Fen Edebiyat Fakultesi
Fizik Bolumu
Kutahya / TURKEY

_________________________________________________________________
Protect your PC - get McAfee.com VirusScan Online 
http://clinic.mcafee.com/clinic/ibuy/campaign.asp?cid=3963