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

[fabien.tran at vasp.at]

This type is not yet available in WIEN2k. The forces would be easier to 
implement, but with probably numerical difficulties because of the high 
derivatives of rho.

On 29.06.2022 22:30, Laurence Marks wrote:
> 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] [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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>> 
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> 
> --
> 
> 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
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html