[QE-users] use of libxc functional

[Paolo Giannozzi]

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 <jcconesa at icp.csic.es>
wrote:

> 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, Madrid, Spain
> www.icp.csic.es
> Tel. (+34)915854766
>
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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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