XC: Difference between revisions
No edit summary |
No edit summary |
||
| Line 3: | Line 3: | ||
Description: {{TAG|XC}} specifies a combination of exchange-correlation functionals. | Description: {{TAG|XC}} specifies a combination of exchange-correlation functionals. | ||
---- | ---- | ||
A combination of semilocal functionals can be | A combination of semilocal functionals can be set with the {{TAG|XC}} tag. The functionals that can be combined are the {{TAG|GGA}} and {{TAG|METAGGA}} functionals implemented in VASP as well as the functionals implemented in Libxc. | ||
== Examples of {{FILE|INCAR}} == | == Examples of {{FILE|INCAR}} == | ||
*PBE{{cite|perdew:prl:1996}} | *Mixing consisting of 50% PBE{{cite|perdew:prl:1996}} and 50% of PBEsol | ||
{{TAG| | {{TAG|XC}} = | ||
Revision as of 15:27, 29 January 2024
XC = Combination of functionals
Description: XC specifies a combination of exchange-correlation functionals.
A combination of semilocal functionals can be set with the XC tag. The functionals that can be combined are the GGA and METAGGA functionals implemented in VASP as well as the functionals implemented in Libxc.
Examples of INCAR
- Mixing consisting of 50% PBE[1] and 50% of PBEsol
XC =
Related tags and articles
XC_C, LIBXC1, LIBXC2, ALDAX, ALDAC, AGGAX, AGGAC, GGA, METAGGA
References