[Pw_forum] SCAN + rVV10

[Subrata Jana]

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 <
giuseppe.mattioli at ism.cnr.it> wrote:

>
> Dear Subrata
> AFAIK It is not possible to generate meta-GGA pseudo potentials with
> atomic yet.
> Best
> Giuseppe
>
> Subrata Jana <subrata.jana at niser.ac.in> 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
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> E-mail: <giuseppe.mattioli at ism.cnr.it>
>
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