[Pw_forum] GGA

[Eyvaz Isaev]

Hi,

As I know exchange-correlation functional is usually 
given via pseudopotential file. Therefore, you can
bring the PBE type functional to your system
generation of a pseudopotential.

Bests,
Eyvaz. 


--- Mousumi Upadhyay <mousumi at jncasr.ac.in> wrote:
> 
> 
> Hi all,
> 
>           I want to use PB_GGA approximation for the
> exchange correlation 
> part. How to insert that in my input file? Should I
> bring that in picture 
> in the pseudopotential generation file as well?
> 
>           regards, mousumi.
> 
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