There is some ongoing work on functionals that (hopefully) allows easy
usage of all libxc functionals, but it is not yet ready for meta-GGA's
Paolo
On Thu, Jun 13, 2019 at 1:26 PM José Carlos Conesa
wrote:
> Dear all,
>
> I wish to try in qe the functional HLE17 which is included in libxc
>
Dear all,
I wish to try in qe the functional HLE17 which is included in libxc
(with the name MGGA_XC_HLE17); but I do not see any reference to it in
the Modules/funct.f90 file. Would this be possible?
Regards,
--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2,
