Category:Meta-GGA: Difference between revisions

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== How to ==
== How to ==


A meta-GGA can be used with the tag  {{TAG|METAGGA}} in the {{FILE|INCAR}} file.
A meta-GGA can be used by specifying the tag  {{TAG|METAGGA}} in the {{FILE|INCAR}} file.




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[[Category:VASP|PAW]][[Category:XC Functionals]]
[[Category:VASP|PAW]][[Category:XC Functionals]]

Revision as of 11:00, 19 January 2022

Theoretical Background

Meta-GGA exchange-correlation functionals depend on the electron density , its first derivative and the kinetic-energy density :

Although meta-GGAs are slightly more expensive than GGAs, they are still fast to evaluate and appropriate for very large systems. In general, meta-GGA functionals are more accurate than GGAs. Not that meta-GGAs are implemented in VASP within the generalized KS scheme[1]. The meta-GGA that is currently widely used in solid-state physics is SCAN[2].

How to

A meta-GGA can be used by specifying the tag METAGGA in the INCAR file.



Pages in category "Meta-GGA"

The following 18 pages are in this category, out of 18 total.