[QE-users] exchange enhancement factor
p.giannozzi at gmail.com
Mon Apr 9 09:29:59 CEST 2018
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
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?
> *Sam Azadi*
> *Imperial College London*
> users mailing list
> users at lists.quantum-espresso.org
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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