UIJKL - Revision history

Csheldon: /* Related tags and articles */

2026-03-26T10:40:38Z

Csheldon at 10:40, 26 March 2026

2026-03-26T10:40:32Z

← Older revision		Revision as of 10:40, 26 March 2026
Line 14:		Line 14:
	== Related tags and articles ==		== Related tags and articles ==
	[[Constrained–random-phase–approximation formalism]]		[[Constrained–random-phase–approximation formalism]]
			{{FILE\|VIJKL}}, {{FILE\|URijkl}}, {{FILE\|VRijkl}}, {{TAG\|LOCALIZED_BASIS}}, {{TAG\|ALGO}}
	~~Files:~~ {{FILE\|VIJKL}}, {{FILE\|URijkl}}, {{FILE\|VRijkl}}

	~~Tags:~~ {{TAG\|LOCALIZED_BASIS}}, {{TAG\|ALGO}}

	[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]		[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]

Huebsch: "This" → "The" in opening sentence

2026-03-20T10:50:41Z

"This" → "The" in opening sentence

← Older revision		Revision as of 10:50, 20 March 2026
Line 1:		Line 1:
	~~This~~ {{FILE\|UIJKL}} file stores the effectively screened Coulomb integrals at the unit-cell origin ('''R''' = 0):		The {{FILE\|UIJKL}} file stores the effectively screened Coulomb integrals at the unit-cell origin ('''R''' = 0):
	::<math>		::<math>
	U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'		U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'

Huebsch: Files: / Tags: grouping; self-reference {{FILE|UIJKL}}

2026-03-20T10:44:19Z

Files: / Tags: grouping; self-reference {{FILE|UIJKL}}

← Older revision		Revision as of 10:44, 20 March 2026
Line 1:		Line 1:
	This file stores the effectively screened Coulomb integrals at the unit-cell origin ('''R''' = 0):		This {{FILE\|UIJKL}} file stores the effectively screened Coulomb integrals at the unit-cell origin ('''R''' = 0):
	::<math>		::<math>
	U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'		U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
Line 13:		Line 13:

	== Related tags and articles ==		== Related tags and articles ==
	[[Constrained–random-phase–approximation formalism]],		[[Constrained–random-phase–approximation formalism]]
	{{FILE\|VIJKL}}, {{FILE\|URijkl}}, {{FILE\|VRijkl}},
	{{TAG\|LOCALIZED_BASIS}}, {{TAG\|ALGO}}		Files: {{FILE\|VIJKL}}, {{FILE\|URijkl}}, {{FILE\|VRijkl}}

			Tags: {{TAG\|LOCALIZED_BASIS}}, {{TAG\|ALGO}}

	[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]		[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]

Huebsch: Fix Related files → Related tags and articles; add theory page cross-link; describe R=0 context and format columns; fix "in following format"; remove trailing ----

2026-03-20T10:19:29Z

Fix Related files → Related tags and articles; add theory page cross-link; describe R=0 context and format columns; fix "in following format"; remove trailing ----

← Older revision		Revision as of 10:19, 20 March 2026
Line 1:		Line 1:
	This file stores the effectively screened Coulomb integrals		This file stores the effectively screened Coulomb integrals at the unit-cell origin ('''R''' = 0):
	::<math>		::<math>
	U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'		U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
Line 5:		Line 5:
	w_{k}^{*\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')		w_{k}^{*\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')
	</math>		</math>
	~~in following~~ format		evaluated at zero frequency (<math>\omega=0</math>). The columns I, J, K, L are the Wannier function indices; RE and IM are the real and imaginary parts. The format is as follows:
	# U_ijkl = [ij,R\|kl,0]		# U_ijkl = [ij,R\|kl,0]
	# I J K L RE(V_IJKL) IM(V_IJKL)		# I J K L RE(V_IJKL) IM(V_IJKL)
	1 1 1 1 4.3457689208 0.0000000000		1 1 1 1 4.3457689208 0.0000000000
	2 1 1 1 0.0000021313 0.0000001349		2 1 1 1 0.0000021313 0.0000001349
	...		...
	== Related ~~files~~ ==
	{{FILE\|VIJKL}},{{FILE\|URijkl}},{{FILE\|VRijkl}}		== Related tags and articles ==
			[[Constrained–random-phase–approximation formalism]],
			{{FILE\|VIJKL}}, {{FILE\|URijkl}}, {{FILE\|VRijkl}},
			{{TAG\|LOCALIZED_BASIS}}, {{TAG\|ALGO}}

	~~----~~
	[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]		[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]

Kaltakm at 09:23, 28 March 2025

2025-03-28T09:23:47Z

← Older revision		Revision as of 09:23, 28 March 2025
Line 11:		Line 11:
	2 1 1 1 0.0000021313 0.0000001349		2 1 1 1 0.0000021313 0.0000001349
	...		...
			== Related files ==
			{{FILE\|VIJKL}},{{FILE\|URijkl}},{{FILE\|VRijkl}}

	----		----
	[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]		[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]

Kaltakm at 09:10, 28 March 2025

2025-03-28T09:10:35Z

← Older revision		Revision as of 09:10, 28 March 2025
Line 3:		Line 3:
	U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'		U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
	w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega)		w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega)
	w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})		w_{k}^{*\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')
	</math>		</math>
	in following format		in following format

Kaltakm at 17:03, 27 March 2025

2025-03-27T17:03:53Z

← Older revision		Revision as of 17:03, 27 March 2025
Line 5:		Line 5:
	w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})		w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})
	</math>		</math>
	~~The~~ format ~~is as follows:~~		in following format
	# U_ijkl = [ij,R\|kl,0]		# U_ijkl = [ij,R\|kl,0]
	# I J K L RE(V_IJKL) IM(V_IJKL)		# I J K L RE(V_IJKL) IM(V_IJKL)

Kaltakm: Created page with "This file stores the effectively screened Coulomb integrals :: $U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' w_{i}^{\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega) w_{k}^{\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})$ The format is as follows: # U_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) 1 1 1 1 4.3457689208 0.0000000000 2 1 1 1 0.00000213..."

2025-03-27T17:03:24Z

Created page with "This file stores the effectively screened Coulomb integrals ::<math> U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega) w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r}) </math> The format is as follows: # U_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) 1 1 1 1 4.3457689208 0.0000000000 2 1 1 1 0.00000213..."

New page

This file stores the effectively screened Coulomb integrals
::<math>
U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega)
w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})
</math>
The format is as follows:
# U_ijkl = [ij,R|kl,0]
# I J K L RE(V_IJKL) IM(V_IJKL)
1 1 1 1 4.3457689208 0.0000000000
2 1 1 1 0.0000021313 0.0000001349
...
----
[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]