KPOINTS WAN

From VASP Wiki
Revision as of 08:29, 17 January 2022 by Huebsch (talk | contribs) (Created page with "{{FILE|KPOINTS_WAN}} is an optional input file to obtain eigenstates and eigenenergies at the specified '''k''' points from Category:Wannier Functions. The format is the s...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

KPOINTS_WAN is an optional input file to obtain eigenstates and eigenenergies at the specified k points from. The format is the same as for the KPOINTS file.

Important: The VASP calculation must include the construction of, e.g., using LSCDM.

KPOINTS_WAN is read automatically when present. To avoid this, set LKPOINTS_WAN=.FALSE. in the INCAR file. VASP writes the PROCAR_WAN file and corresponding fields in the vaspout.h5 file indicated by the keyword kpoints_wan.

Mind: Available as of VASP 6.3.0.

Related tags and sections

KPOINTS, KPOINTS_OPT, LKPOINTS_WAN, PROCAR_WAN, LSCDM, LWANNIER90, LOCPROJ