LTBOUNDLIBXC

From VASP Wiki
Revision as of 16:54, 12 January 2022 by Ftran (talk | contribs)

TBOUNDLIBXC = .TRUE. | .FALSE.
Default: TBOUNDLIBXC = .FALSE. 

Description: TBOUNDLIBXC specifies whether or not the lower bound for the Kohn-Sham kinetic-energy density, [math]\displaystyle{ \tau_{\sigma}^{\textrm{W}}\lt \tau_{\sigma} }[/math], is enforced before [math]\displaystyle{ \tau_{\sigma} }[/math] is used in a meta-GGA functional from Libxc.



Related Tags and Sections

LIBXC1, METAGGA

Examples that use this tag