[QE-users] exchange enhancement factor

[Paolo Giannozzi]

You mean the Fx(s) factor ( s=|grad n|/(2nk_F) ) that appears in the
definition of GGA functionals? It's hif\dden into the calculations of
functionals, there is no simple way to print it

Paolo

On Sat, Apr 7, 2018 at 12:11 PM, Sam Azadi <s.azadi at imperial.ac.uk> wrote:

> Dear All,
>
> I'm interested on the exchange enhancement factor as function of density
> (or density gradient).
>
> Does anybody know how to print out the calculated exchange enhancement
> factor for a given XC functional?
>
> Thanks!
>
>
> *---*
>
> *Sam Azadi*
>
> *Imperial College London*
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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