DMFT BASIS - Revision history

Kaltakm: /* Related tags and articles */

2025-03-28T09:20:49Z

Kaltakm at 15:23, 27 March 2025

2025-03-27T15:23:54Z

← Older revision		Revision as of 15:23, 27 March 2025
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	----		----

			[[Category:Wannier functions]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]]
	~~<!---~~[[Category:Wannier functions]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]] ~~-->~~

Kaltakm at 15:23, 27 March 2025

2025-03-27T15:23:33Z

← Older revision		Revision as of 15:23, 27 March 2025
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	<!---[[Category:Wannier functions]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]]		<!---[[Category:Wannier functions]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]] -->

Kaltakm: Created page with "{{DISPLAYTITLE:DMFT_BASIS}} {{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}} Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations. ---- This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise. The tag affects how {{TAG|NTARGET_STATES}} is interpreted. For instance DMFT_BASIS = BLOCH NTARGET_STATES = 1 4 5 8 evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and..."

2024-02-21T08:06:45Z

Created page with "{{DISPLAYTITLE:DMFT_BASIS}} {{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}} Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations. ---- This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise. The tag affects how {{TAG|NTARGET_STATES}} is interpreted. For instance DMFT_BASIS = BLOCH NTARGET_STATES = 1 4 5 8 evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and..."

New page

{{DISPLAYTITLE:DMFT_BASIS}}
{{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}}

Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations.

----
This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise.
The tag affects how {{TAG|NTARGET_STATES}} is interpreted.
For instance
DMFT_BASIS = BLOCH
NTARGET_STATES = 1 4 5 8
evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and 8.

In contrast,
DMFT_BASIS = MLWF
NTARGET_STATES = 1 4 5 8
evaluates the Coulomb matrix elements in the [[LWANNIER90|Wannier basis]] for the states 1, 4, 5 and 8 defined in the {{FILE|INCAR}} file or read from the {{FILE|WANPROJ}} file.

=== Related tags and articles ===
{{TAG|ALGO}},
{{TAG|NCRPA_BANDS}},
{{TAG|NTARGET_STATES}},
{{TAG|LOCPROJ}}

{{sc|DMFT_BASIS|Examples|Examples that use this tag}}
----

<!---[[Category:Wannier functions]][[Category:Many-body perturbation theory]][[Category:Constrained-random-phase approximation]]

← Older revision		Revision as of 09:20, 28 March 2025
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	{{TAG\|NCRPA_BANDS}},		{{TAG\|NCRPA_BANDS}},
	{{TAG\|NTARGET_STATES}},		{{TAG\|NTARGET_STATES}},
	{{TAG\|LOCPROJ}}		{{TAG\|LOCPROJ}},
			{{FILE\|VIJKL}},
			{{FILE\|UIJKL}},
			{{FILE\|VRijkl}},
			{{FILE\|URijkl}}

	{{sc\|DMFT_BASIS\|Examples\|Examples that use this tag}}		{{sc\|DMFT_BASIS\|Examples\|Examples that use this tag}}