LIBXC1: Difference between revisions
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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. | 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 or strings. | LIBXC1 and LIBXC2 can be either integers or strings. The possibilities are the floowing: | ||
* | *{{TAGDEF|LIBXC1}} | ||
*de | *de | ||
*dwdw | *dwdw | ||
The available functionals are listed on the Libxc website<ref name="libxc"/>. | |||
<references> | <references> | ||
Revision as of 15:36, 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 possibilities are the floowing:
- LIBXC1
- de
- dwdw
The available functionals are listed on the Libxc website[3].
Related Tags and Sections
AGGAX, AGGAC, ALDAC, LHFCALC, hybrid functionals, settings for specific hybrid functionals