LIBXC2: Difference between revisions
m (Ftran moved page LIBXC2 to Construction:LIBXC2 over redirect) |
m (Ftran moved page Construction:LIBXC2 to LIBXC2 over redirect) |
(No difference)
| |
Revision as of 08:19, 17 January 2022
LIBXC2 = [integer] or [string]
Description: LIBXC2 specifies the correlation functional from the library of exchange-correlation functionals Libxc[1][2][3] that one wants to use. LIBXC2 can be used only if the functional specified with LIBXC1 corresponds to exchange and not directly to exchange and correlation.
LIBXC2 can be either an integer or a string. A detailed explanation on how to use LIBXC1 and LIBXC2 can be found at the LIBXC1 page.
Related Tags and Sections
LIBXC1, LIBXC1_Pn, LIBXC2_Pn, LTBOUNDLIBXC, GGA, METAGGA, LHFCALC, AEXX, AGGAX, AGGAC, ALDAC, hybrid functionals, settings for specific hybrid functionals