LTBOUNDLIBXC

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

Description: TBOUNDLIBXC specifies whether or not the Kohn-Sham kinetic-energy density $\tau _{\sigma }$ is forced to be larger than the Weizsäcker kinetic-energy density $\tau _{\sigma }^{\textrm {W}}$.

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Related Tags and Sections

LIBXC1, METAGGA

Examples that use this tag

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