LTBOUNDLIBXC

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

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

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Related Tags and Sections

LIBXC1, METAGGA

Examples that use this tag

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