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 <[email protected]> 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 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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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