LIBXC1: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
{{TAGDEF|LIBXC1/LIBXC2|[integer] or [string]}} | {{TAGDEF|LIBXC1/LIBXC2|[integer] or [string]}} | ||
Description: {{TAG|LIBXC1 | Description: {{TAG|LIBXC1}} and {{TAG|LIBXC2}} specify the functionals from the library of exchange-correlation functionals {{cite|marques:cpc:2012}}{{cite|lehtola:sx:2018}} that one wants to use. | ||
---- | ---- | ||
LIBXC1 and LIBXC2 can be either integers | LIBXC1 and LIBXC2 can be either integers or strings. The available functionals are listed on the Libxc website | ||
Revision as of 15:19, 20 December 2021
LIBXC1/LIBXC2 = [integer] or [string]
Description: LIBXC1 and LIBXC2 specify the functionals from the library of exchange-correlation functionals [1][2] that one wants to use.
LIBXC1 and LIBXC2 can be either integers or strings. The available functionals are listed on the Libxc website
Related Tags and Sections
AGGAX, AGGAC, ALDAC, LHFCALC, hybrid functionals, settings for specific hybrid functionals