LDOWNSAMPLE: Difference between revisions
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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}} that are contained in the {{FILE|WAVECAR}} file. | ||
This option is automatically selected for [[Constrained–random-phase–approximation formalism|cRPA calculations]], | 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. To this end, the Wannier projection should be written to {{FILE|WANPROJ}}. | ||
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 == | == Related tags and articles == | ||
{{TAG|LWANNIER90}}, | {{TAG|LWANNIER90}}, | ||
{{TAG|LWANNIER90_RUN}}, | {{TAG|LWANNIER90_RUN}}, | ||
{{TAG|WANPROJ}} | |||
{{sc|LDOWNSAMPLE|Examples|Examples that use this tag}} | {{sc|LDOWNSAMPLE|Examples|Examples that use this tag}} | ||
Revision as of 15:41, 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 that are contained 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. To this end, 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.
Related tags and articles
LWANNIER90, LWANNIER90_RUN, WANPROJ