Dear Giuseppe, Then it is possible to generate pseudopotential for meta-GGA using APE (atomic pseudopotentials engine) code and use it back in QE? APE supported with libxc and I think the implementation of SCAN in QE also through libxc.
With Regards, Subrata Jana On Fri, Nov 24, 2017 at 5:16 AM, Giuseppe Mattioli < [email protected]> wrote: > > Dear Subrata > AFAIK It is not possible to generate meta-GGA pseudo potentials with > atomic yet. > Best > Giuseppe > > Subrata Jana <[email protected]> ha scritto: > > > Dear users, > > I want to do some rVV10 dispersion corrected calculation using SCAN > > meta-GGA for my MoS2 bilayer. It is possible to generate pseudo potential > > for Mo and S for SCAN meta-GGA using atomic code that is inside the QE ? > If > > yes then what is the procedure ? > > > > Regards, > > Subrata > > > > GIUSEPPE MATTIOLI > CNR - ISTITUTO DI STRUTTURA DELLA MATERIA > Via Salaria Km 29,300 - C.P. 10 > I-00015 - Monterotondo Scalo (RM) > Mob (*preferred*) +39 373 7305625 > Tel + 39 06 90672342 - Fax +39 06 90672316 > E-mail: <[email protected]> > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
