LWANNIER90 RUN: Difference between revisions
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{{DISPLAYTITLE:LWANNIER90_RUN}} | |||
{{TAGDEF|LWANNIER90_RUN|.TRUE. {{!}} .FALSE.|.FALSE.}} | {{TAGDEF|LWANNIER90_RUN|.TRUE. {{!}} .FALSE.|.FALSE.}} | ||
Description: {{TAG|LWANNIER90_RUN}} | Description: {{TAG|LWANNIER90_RUN}} executes <tt>wannier_setup</tt> (see {{TAG|LWANNIER90}}=.TRUE.) and subsequently runs [http://www.wannier.org WANNIER90] in library mode (<tt>wannier_run</tt>). | ||
---- | ---- | ||
For details on the execution of <tt>wannier_setup</tt> in VASP, see the description of the {{TAG|LWANNIER90}}-tag. | |||
For information on the many tags one may set in the {{FILE|wannier90.win}} file to control the execution of WANNIER90 (be it standalone or in library mode) we refer to the [http://www.wannier.org/doc/user_guide.pdf WANNIER90 manual]. | |||
== Related | '''Mind''': when running WANNIER90 in library mode, the {{FILE|wannier90.mmn}} and {{FILE|wannier90.amn}} files are not written. The information these files normally contain is passed on to <tt>wannier_run</tt> internally. If you want these files to be written anyway, for instance to be able to run WANNIER90 standalone later on, one should add | ||
{{TAG|LWRITE_MMN_AMN}}=.TRUE. | |||
to the {{FILE|INCAR}} file. | |||
== Related tags and articles == | |||
{{TAG|LWANNIER90}}, | |||
{{TAG|LWRITE_MMN_AMN}}, | {{TAG|LWRITE_MMN_AMN}}, | ||
{{TAG|LWRITE_UNK}}, | {{TAG|LWRITE_UNK}}, | ||
{{TAG| | {{TAG|NUM_WANN}} | ||
{{sc|LWANNIER90_RUN|Examples|Examples that use this tag}} | |||
---- | ---- | ||
[[Category:INCAR]] | [[Category:INCAR tag]][[Category:Wannier functions]] | ||
Revision as of 11:53, 19 July 2022
LWANNIER90_RUN = .TRUE. | .FALSE.
Default: LWANNIER90_RUN = .FALSE.
Description: LWANNIER90_RUN executes wannier_setup (see LWANNIER90=.TRUE.) and subsequently runs WANNIER90 in library mode (wannier_run).
For details on the execution of wannier_setup in VASP, see the description of the LWANNIER90-tag. For information on the many tags one may set in the wannier90.win file to control the execution of WANNIER90 (be it standalone or in library mode) we refer to the WANNIER90 manual.
Mind: when running WANNIER90 in library mode, the wannier90.mmn and wannier90.amn files are not written. The information these files normally contain is passed on to wannier_run internally. If you want these files to be written anyway, for instance to be able to run WANNIER90 standalone later on, one should add
LWRITE_MMN_AMN=.TRUE.
to the INCAR file.
Related tags and articles
LWANNIER90, LWRITE_MMN_AMN, LWRITE_UNK, NUM_WANN