LTAU: Difference between revisions
(Created page with "{{TAGDEF|LTAU|.True. {{!}} .False.}} {{DEF| LTAU |.False.| |.True.|if the XC functional depends on the kinetic energy density (see metaGGAs).}} Description: Request evaluation of the kinetic energy density. ---- By default only metaGGAs that depend on the kinetic energy density compute it. However, setting {{TAG|LTAU|T}} in the {{FILE|INCAR}} file alows to write the kinetic energy density to file even in case the XC functional is indepen...") |
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By default only [[METAGGA|metaGGAs]] that depend on the kinetic energy density compute it. However, setting {{TAG|LTAU|T}} in the {{FILE|INCAR}} file alows to write the kinetic energy density to file even in case the [[XC functional]] is independent of the kinetic energy density. {{TAG|LCHARG}} controls whether the charge density and the kinetic energy density are written. | By default only [[METAGGA|metaGGAs]] that depend on the kinetic energy density compute it. However, setting {{TAG|LTAU|T}} in the {{FILE|INCAR}} file alows to write the kinetic energy density to file even in case the [[XC functional]] is independent of the kinetic energy density. {{TAG|LCHARG}} controls whether the charge density and the kinetic energy density are written. | ||
== Related tags and articles == | |||
{{TAG|LCHARG}}, {{TAG|LH5}}, {{TAG|LCHARGH5}}, {{FILE|TAUCAR}}, {{FILE|vaspwave.h5}} | |||
{{sc|LCHARG|Howto|Workflows that use this tag}} | |||
[[Category:INCAR tag]] | |||
Latest revision as of 13:03, 11 March 2026
LTAU = .True. | .False.
| Default: LTAU | = .False. | |
| = .True. | if the XC functional depends on the kinetic energy density (see metaGGAs). |
Description: Request evaluation of the kinetic energy density.
By default only metaGGAs that depend on the kinetic energy density compute it. However, setting LTAU = T in the INCAR file alows to write the kinetic energy density to file even in case the XC functional is independent of the kinetic energy density. LCHARG controls whether the charge density and the kinetic energy density are written.