[Pw_forum] Band gap

[ramzi alaya]

Hi everyone,
When we want to use a supercell to treat the case of alloys, we are actually folding of the Brillouin zone to the point gamma, how to determine the
energy gap from the band structure
 (? - ? and ? - X).

Thank you.

Regards.
 
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Ramzi Alaya
Faculté des Sciences de Gabès
Cité Erriadh 6072 Gabès- Tunisie
LAPHYMN 		 	   		  
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