[Pw_forum] Brillouin Zone for my supercell

Elie Moujaes elie.moujaes at hotmail.co.uk
Thu Oct 28 19:22:59 CEST 2010


Dear All,
 
I am working with a supercell of 60 Carbon atoms. I am trying to do scf and band structure calculations. Is there anything in QE that is used to draw the Brillouin zone for my supercell as I need to find the coordinates of the points that are intercepts with the walls of the Brillouin zone or maybe find coordinates of high symmetry points in the BZ? How can I get such information?
 
Regards
 
Elie Moujaes
University of Nottingham
BG7 2RD 		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101028/e163be36/attachment.htm 


More information about the Pw_forum mailing list