LWRITE UNK: Difference between revisions
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{{DISPLAYTITLE:LWRITE_UNK}} | |||
{{TAGDEF|LWRITE_UNK|.TRUE. {{!}} .FALSE.|.FALSE.}} | {{TAGDEF|LWRITE_UNK|.TRUE. {{!}} .FALSE.|.FALSE.}} | ||
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. | ||
---- | ---- | ||
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 articles == | |||
== Related | |||
{{TAG|LWANNIER90}}, | {{TAG|LWANNIER90}}, | ||
{{TAG|LWRITE_MMN_AMN | {{TAG|LWRITE_MMN_AMN}} | ||
{{sc|LWANNIER90_RUN|Examples|Examples that use this tag}} | {{sc|LWANNIER90_RUN|Examples|Examples that use this tag}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Wannier | [[Category:INCAR tag]][[Category:Wannier functions]] | ||
Latest revision as of 11:55, 19 July 2022
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.