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

fabien.tran at vasp.at fabien.tran at vasp.at
Wed Jun 29 22:20:38 CEST 2022


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
> _______________________________________________
> 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


More information about the Wien mailing list