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 wrote:
> Dear All,
>
> I'm interested on the exchange enhan
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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