LWRITE UNK: Difference between revisions
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Description: {{TAG|LWRITE_UNK}} decides whether the cell-periodic part of the relevant Bloch functions is written. | Description: {{TAG|LWRITE_UNK}} decides whether the cell-periodic part of the relevant Bloch functions is written. | ||
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For | For {{TAG|LWRITE_UNK}}=True, VASP writes the cell-periodic part of the Kohn–Sham orbitals in spin channel s at k point p to the file '''wannier90.UNKp.s'''. This file can be used to plot Wannier orbitals with WANNIER90. | ||
For details on the execution of <tt>wannier_setup</tt> in VASP, see the description of the {{TAG|LWANNIER90}} tag. | |||
For information on the '''wannier90.win''' file and the execution of WANNIER90, we refer to the [http://www.wannier.org/doc/user_guide.pdf WANNIER90 manual]. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 08:54, 24 August 2021
LWRITE_UNK = .TRUE. | .FALSE.
Default: LWRITE_UNK = .FALSE.
Description: LWRITE_UNK decides whether the cell-periodic part of the relevant Bloch functions is written.
For LWRITE_UNK=True, VASP writes the cell-periodic part of the Kohn–Sham orbitals in spin channel s at k point p to the file wannier90.UNKp.s. This file can be used to plot Wannier orbitals with WANNIER90.
For details on the execution of wannier_setup in VASP, see the description of the LWANNIER90 tag. For information on the wannier90.win file and the execution of WANNIER90, we refer to the WANNIER90 manual.
Related Tags and Sections
LWANNIER90, LWRITE_MMN_AMN, LWRITE_UNK