NUM WANN: Difference between revisions
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(Generalize the tag a bit more. It's used not just for wannier90) |
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{{DISPLAYTITLE:NUM_WANN}} | |||
{{TAGDEF|NUM_WANN|[integer]|{{TAG|NBANDS}}}} | {{TAGDEF|NUM_WANN|[integer]|{{TAG|NBANDS}}}} | ||
Description: | Description: Controls the number of Wannier orbitals to be constructed. | ||
== Related | ---- | ||
This tag is used to determine the number of Wannier orbitals to be constructed in the [[:Category:Wannier_functions#Selected_columns_of_the_density_matrix_(SCDM)|SCDM method]]. | |||
Since VASP 6.2.0, {{TAG|NUM_WANN}} also determines the number of Wannier orbitals to be used with wannier90. | |||
Note that the <code>num_wann</code> value written to the <code>wannier90.win</code> file is always the value of {{TAG|NUM_WANN}} known by vasp. | |||
When using {{TAG|LOCPROJ}} for Wannierization, it is not necessary to set {{TAG|NUM_WANN}}. | |||
In this case, the number of Wannier orbitals is automatically set equal to the number of local functions. | |||
== Related tags and articles == | |||
{{TAG|LWANNIER90}}, | {{TAG|LWANNIER90}}, | ||
{{TAG| | {{TAG|LSCDM}}, | ||
{{TAG| | {{TAG|CUTOFF_TYPE}} | ||
---- | |||
[[Category:INCAR tag]][[Category:Wannier functions]] | |||
Latest revision as of 12:42, 27 June 2024
NUM_WANN = [integer]
Default: NUM_WANN = NBANDS
Description: Controls the number of Wannier orbitals to be constructed.
This tag is used to determine the number of Wannier orbitals to be constructed in the SCDM method.
Since VASP 6.2.0, NUM_WANN also determines the number of Wannier orbitals to be used with wannier90.
Note that the num_wann value written to the wannier90.win file is always the value of NUM_WANN known by vasp.
When using LOCPROJ for Wannierization, it is not necessary to set NUM_WANN. In this case, the number of Wannier orbitals is automatically set equal to the number of local functions.
Related tags and articles
LWANNIER90, LSCDM, CUTOFF_TYPE