WANNIER90 WIN: Difference between revisions
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{{DISPLAYTITLE:WANNIER90_WIN}} | |||
{{TAGDEF|WANNIER90_WIN|[string]}} | {{TAGDEF|WANNIER90_WIN|[string]}} | ||
{{DEF|WANNIER90_WIN|None|}} | {{DEF|WANNIER90_WIN|None|}} | ||
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" | " | ||
Additionally, the value of some [ | Additionally, the value of some [https://github.com/wannier-developers/wannier90/raw/v3.1.0/doc/compiled_docs/user_guide.pdf Wannier90 tags] is set automatically based on the VASP calculation, e.g., ''kpoints'', ''atoms'', ''unit_cell'', ''mp_grid'', ''spinors'', ''num_bands'', ''num_wann''. | ||
Available as of VASP 6.2.0. | Available as of VASP 6.2.0. | ||
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---- | ---- | ||
[[Category:INCAR | [[Category:INCAR tag]][[Category:Wannier functions]] | ||
Latest revision as of 08:29, 20 October 2023
WANNIER90_WIN = [string]
| Default: WANNIER90_WIN | = None |
Description: WANNIER90_WIN sets the content of the wannier90.win file.
The WANNIER90_WIN tag is a multiline string, where the content of the wannier90.win file can be specified. For instance,
WANNIER90_WIN = " exclude_bands 17-64 Begin Projections Si:sp3 End Projections # Disentanglement dis_win_min = -7 dis_win_max = 16 dis_num_iter = 100 guiding_centres = true "
Additionally, the value of some Wannier90 tags is set automatically based on the VASP calculation, e.g., kpoints, atoms, unit_cell, mp_grid, spinors, num_bands, num_wann.
Available as of VASP 6.2.0.
Related tags and articles
NUM_WANN, LWANNIER90, LWANNIER90_RUN