[Pw_forum] Question about charged supercell

[Mahmoud Payami Shabestari]

Dear Paolo,



 > yes. It fills the LUMO of "A" until it is aligned with the HOMO of "B",
 > as explained by SdG in his previous message.
 


I see.

Is it possibe (or already implemented) to distinguish between the levels of 
fragments in different regions of a supercell, so that one controlls by hand 
the occupation numbers?

 

mahmoud





 P.
 
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
 

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