VIJKL - Revision history

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

2026-03-20T10:50:42Z

"This" → "The" in opening sentence

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

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

2026-03-20T10:44:17Z

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

← Older revision		Revision as of 10:44, 20 March 2026
Line 1:		Line 1:
	This file stores the bare Coulomb integrals at the unit-cell origin ('''R''' = 0):		This {{FILE\|VIJKL}} file stores the bare Coulomb integrals at the unit-cell origin ('''R''' = 0):
	::<math>		::<math>
	V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'		V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
Line 12:		Line 12:

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

2026-03-20T10:19:28Z

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

← Older revision		Revision as of 10:19, 20 March 2026
Line 1:		Line 1:
	This file stores the bare Coulomb integrals		This file stores the bare Coulomb integrals at the unit-cell origin ('''R''' = 0):
	::<math>		::<math>
	V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'		V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
	\frac{ w_{i}^{\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')}{\|{\bf r}-{\bf r}'\|}		\frac{ w_{i}^{\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')}{\|{\bf r}-{\bf r}'\|}
	</math>		</math>
	The format is as follows:		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:
	# V_ijkl = [ij,R\|kl,0]		# V_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 14.4576272582 0.0000000000		1 1 1 1 14.4576272582 0.0000000000
	2 1 1 1 0.0000010313 0.0000031049		2 1 1 1 0.0000010313 0.0000031049
	...		...
	== Related ~~files~~ ==
	{{FILE\|UIJKL}},{{FILE\|URijkl}},{{FILE\|VRijkl}}		== Related tags and articles ==
	~~----~~		[[Constrained–random-phase–approximation formalism]],
			{{FILE\|UIJKL}}, {{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 09:24, 28 March 2025

2025-03-28T09:24:08Z

← Older revision		Revision as of 09:24, 28 March 2025
Line 10:		Line 10:
	2 1 1 1 0.0000010313 0.0000031049		2 1 1 1 0.0000010313 0.0000031049
	...		...
			== Related files ==
			{{FILE\|UIJKL}},{{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 09:22, 28 March 2025

2025-03-28T09:22:24Z

← Older revision		Revision as of 09:22, 28 March 2025
Line 1:		Line 1:
	This file stores the Coulomb integrals		This file stores the bare Coulomb integrals
	::<math>		::<math>
	V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'		V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'

Kaltakm at 09:21, 28 March 2025

2025-03-28T09:21:23Z

← Older revision		Revision as of 09:21, 28 March 2025
Line 2:		Line 2:
	::<math>		::<math>
	V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'		V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
	\frac{ w_{i}^{\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})}{\|{\bf r}-{\bf r}'\|}		\frac{ w_{i}^{\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')}{\|{\bf r}-{\bf r}'\|}
	</math>		</math>
	The format is as follows:		The format is as follows:

Kaltakm: Created page with "This file stores the Coulomb integrals :: $V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' \frac{ w_{i}^{\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})}{|{\bf r}-{\bf r}'|}$ The format is as follows: # V_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) 1 1 1 1 14.4576272582 0.0000000000 2 1 1 1 0.0000010313 0.00000310..."

2025-03-27T16:42:08Z

Created page with "This file stores the Coulomb integrals ::<math> V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' \frac{ w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})}{|{\bf r}-{\bf r}'|} </math> The format is as follows: # V_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) 1 1 1 1 14.4576272582 0.0000000000 2 1 1 1 0.0000010313 0.00000310..."

New page

This file stores the Coulomb integrals
::<math>
V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
\frac{ w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})}{|{\bf r}-{\bf r}'|}
</math>
The format is as follows:
# V_ijkl = [ij,R|kl,0]
# I J K L RE(V_IJKL) IM(V_IJKL)
1 1 1 1 14.4576272582 0.0000000000
2 1 1 1 0.0000010313 0.0000031049
...
----
[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]