LDOWNSAMPLE: Difference between revisions

Latest revision as of 15:42, 27 March 2025

LDOWNSAMPLE = [logical]
Default: LDOWNSAMPLE = .FALSE.

Description: LDOWNSAMPLE selects a sub-grid of k-points defined in KPOINTS from WAVECAR.

If LDOWNSAMPLE is present, VASP selects a sub-grid of k-points defined in KPOINTS and stored in the WAVECAR file. This option is automatically selected for cRPA calculations, where it can be beneficial to perform the Wannier projection on a denser k-point grid than the actual cRPA calculation. For this purpose, the Wannier projection should be written to WANPROJ.

This tag is not restricted to cRPA jobs and can be used for any other task that start from a pre-calculated WAVECAR and/or WANPROJ file.

@@ Line 4: / Line 4: @@
 Description: {{TAG|LDOWNSAMPLE}} selects a sub-grid of k-points defined in {{FILE|KPOINTS}} from {{FILE|WAVECAR}}.
 ----
-If {{TAG|LDOWNSAMPLE}} is present, VASP selects a sub-grid of k-points defined in {{FILE|KPOINTS}} that are contained in the {{FILE|WAVECAR}} file.
+If {{TAG|LDOWNSAMPLE}} is present, VASP selects a sub-grid of k-points defined in {{FILE|KPOINTS}} and stored in the {{FILE|WAVECAR}} file.
-This option is automatically selected for [[Category:Constrained-random-phase_approximation|cRPA calculations]], but can be used for other
+This option is automatically selected for [[Constrained–random-phase–approximation formalism|cRPA calculations]], where it can be beneficial to perform the Wannier projection on a denser k-point grid than the actual cRPA calculation. For this purpose, the Wannier projection should be written to {{FILE|WANPROJ}}.
-computationally demanding jobs that should be preformed only a smaller sub-set of k-points.
+This tag is not restricted to cRPA jobs and can be used for any other task that start from a pre-calculated {{FILE|WAVECAR}} and/or {{FILE|WANPROJ}} file.
 == Related tags and articles ==
 {{TAG|LWANNIER90}},
 {{TAG|LWANNIER90_RUN}},
+{{TAG|WANPROJ}}
 {{sc|LDOWNSAMPLE|Examples|Examples that use this tag}}