LTBOUNDLIBXC: Difference between revisions

Revision as of 15:51, 12 January 2022

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 $\tau _{\sigma }^{\textrm {W}}$ .

Related Tags and Sections

LIBXC1, TBOUNDLIBXC, METAGGA,

Examples that use this tag

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 ----
-For many functionals implemented in the library of exchange-correlation functionals Libxc{{cite|marques:cpc:2012}}{{cite|lehtola:sx:2018}}{{cite|libxc}} it is possible to modify the parameters if one does not want to use the default values. If a functional from Libxc has parameters that can be modified, then they are listed in {{FILE|OUTCAR}} below "Parameters of Libxc functionals:" as P<math>n</math> (<math>n=1, 2, ...</math>).
+== Related Tags and Sections ==
+{{TAG|LIBXC1}},
+{{TAG|TBOUNDLIBXC}},
+{{TAG|METAGGA}},
+{{sc|TBOUNDLIBXC|Examples|Examples that use this tag}}
+----
+[[Category:INCAR]][[Category:XC Functionals]][[Category:metaGGA]]