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. | ||
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LIBXC1 and LIBXC2 can be either integers or strings. The available functionals are listed on the Libxc website<ref name="libxc"/> | LIBXC1 and LIBXC2 can be either integers or strings. Typically, {{TAG|LIBXC1}} will be excnage The available functionals are listed on the Libxc website<ref name="libxc"/>. | ||
*dede | |||
*de | |||
*dwdw | |||
<references> | <references> | ||
Revision as of 15:34, 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. Typically, LIBXC1 will be excnage The available functionals are listed on the Libxc website[3].
- dede
- de
- dwdw
Related Tags and Sections
AGGAX, AGGAC, ALDAC, LHFCALC, hybrid functionals, settings for specific hybrid functionals