[Pw_forum] exchange correlation subroutine

[Giovanni Cantele]

meghdad saeedian wrote:
>  
>  
> Hi every one.
> I want to know, does exchange correlation program packd in the one 
> subroutine and where is it?
> Thanks for any comment.
>
>
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I understand you need to know where different XC functionals are coded. 
You can start having a look to the following files:

flib/functionals.f90
flib/more_functionals.f90
flib/lsda_functionals.f90
Modules/functionals.f90

Things like that may be (sometimes) easily found by browsing the QE 
directory tree and using the "grep" command.

Giovanni

-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
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Phone: +39 081 676910
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E-mail: giovanni.cantele at cnr.it
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