[Pw_forum] exchange correlation subroutine

Giovanni Cantele Giovanni.Cantele at na.infn.it
Wed Nov 26 17:46:51 CET 2008

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:


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



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: giovanni.cantele at cnr.it
        giovanni.cantele at na.infn.it
Web: http://people.na.infn.it/~cantele
Research Group: http://www.nanomat.unina.it

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