[Wien] Are MGGA potentials implimented in Libxc (for Wien2k)?

Laurence Marks laurence.marks at gmail.com
Wed Jun 29 22:30:16 CEST 2022


Not even SCANL?

On Wed, Jun 29, 2022 at 3:20 PM <fabien.tran at vasp.at> wrote:

> https://doi.org/10.1103/PhysRevB.105.195138
> No forces at the moment and probably not easy to have them.
>
> On 29.06.2022 22:14, Laurence Marks wrote:
> > I am ever hopeful! While the energy is useful, really want to have it
> > be self-consistent with forces.
> >
> > --
> >
> > Professor Laurence Marks
> > Department of Materials Science and Engineering
> > Northwestern University
> > www.numis.northwestern.edu [1]
> > "Research is to see what everybody else has seen, and to think what
> > nobody else has thought", Albert Szent-Györgyi
> >
> > Links:
> > ------
> > [1] http://www.numis.northwestern.edu
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
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