BSEPREC - Revision history

Tal: Tal moved page Construction:BSEPREC to BSEPREC

2023-10-20T11:59:47Z

Tal moved page Construction:BSEPREC to BSEPREC

← Older revision	Revision as of 11:59, 20 October 2023
(No difference)

Tal at 11:56, 20 October 2023

2023-10-20T11:56:41Z

← Older revision		Revision as of 11:56, 20 October 2023
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	[[Time-dependent density-functional theory calculations]],		[[Time-dependent density-functional theory calculations]],
	[[Bethe-Salpeter equations]]		[[Bethe-Salpeter equations]]


	~~{{sc\|NBANDSV\|Examples\|Examples that use this tag}}~~
	----		----

	[[Category:INCAR tag]] [[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]		[[Category:INCAR tag]] [[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]

Tal at 11:56, 20 October 2023

2023-10-20T11:56:07Z

← Older revision		Revision as of 11:56, 20 October 2023
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	The timestep in the time-evolution calculation is inversely proportional to the maximum transition energy {{TAG\|OMEGAMAX}} and the number of steps is inversely proportional to the broadening {{TAG\|CSHIFT}}. Depending on the {{TAG\|BSEPREC}} stable these parameters are scaled depending on the precision tag {{TAG\|BSEPREC}}.		The timestep in the time-evolution calculation is inversely proportional to the maximum transition energy {{TAG\|OMEGAMAX}} and the number of steps is inversely proportional to the broadening {{TAG\|CSHIFT}}. Depending on the {{TAG\|BSEPREC}} stable these parameters are scaled depending on the precision tag {{TAG\|BSEPREC}}.

	::{\| cellpadding="5" cellspacing="0" border="1"		{\| cellpadding="5" cellspacing="0" border="1"
	! BSEPREC !! OMEGAMAX !! CSHIFT		! BSEPREC !! OMEGAMAX !! CSHIFT
	\|-		\|-

Tal at 11:55, 20 October 2023

2023-10-20T11:55:09Z

← Older revision		Revision as of 11:55, 20 October 2023
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	\|}		\|}

	For example, the number of steps <math>N_{\rm steps}</math> for {{TAG\|BSEPREC}} = Low can be found via <math>N_{\rm steps}=\frac{{\rm OMEGAMAX}\times 2}{{\rm CSHIFT}~~\times5^{-1}~~}</math>		For example, the number of steps <math>N_{\rm steps}</math> for {{TAG\|BSEPREC}} = Low can be found via <math>N_{\rm steps}=\frac{{\rm OMEGAMAX}\times 2}{{\rm CSHIFT}/5}</math>
	== Related tag and articles ==		== Related tag and articles ==
	{{TAG\|IBSE}},		{{TAG\|IBSE}},
	[[BSE calculations]]		{{TAG\|NBANDSV}},
			{{TAG\|NBANDSO}},
			{{TAG\|CSHIFT}},
			{{TAG\|OMEGAMAX}},
			[[BSE calculations]],
			[[Time-dependent density-functional theory calculations]],
			[[Bethe-Salpeter equations]]


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

Tal at 10:25, 20 October 2023

2023-10-20T10:25:22Z

← Older revision		Revision as of 10:25, 20 October 2023
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	For example, the number of steps <math>N_{\rm steps}</math> for {{TAG\|BSEPREC}} = Low can be found via <math>N_{\rm steps}=\frac{{\rm OMEGAMAX}\times 2}{{\rm CSHIFT}\times5^{-1}}</math>		For example, the number of steps <math>N_{\rm steps}</math> for {{TAG\|BSEPREC}} = Low can be found via <math>N_{\rm steps}=\frac{{\rm OMEGAMAX}\times 2}{{\rm CSHIFT}\times5^{-1}}</math>

	== Related tag and articles ==		== Related tag and articles ==
	{{TAG\|IBSE}},		{{TAG\|IBSE}},

Tal at 10:18, 20 October 2023

2023-10-20T10:18:25Z

← Older revision		Revision as of 10:18, 20 October 2023
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	{{TAGDEF\|BSEPREC\|Low {{!}} Medium {{!}} High {{!}} Accurate \| Medium}}		{{TAGDEF\|BSEPREC\|Low {{!}} Medium {{!}} High {{!}} Accurate \| Medium}}


	Description: {{TAG\|BSEPREC}} determines the precision of the time-evolution algorithm for solving the Bethe-Salpeter or Casida equations, i.e., the timestep and the number of steps.		Description: {{TAG\|BSEPREC}} determines the precision of the time-evolution algorithm for solving the Bethe-Salpeter or Casida equations, i.e., the timestep and the number of steps.
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	\|}		\|}

	For example, the number of steps for {{TAG\|BSEPREC}} = Low can be found <math>N_{\rm steps}=\frac{{\rm OMEGAMAX}\times 2}{{\rm CSHIFT}\times5^{-1}}</math>		For example, the number of steps <math>N_{\rm steps}</math> for {{TAG\|BSEPREC}} = Low can be found via <math>N_{\rm steps}=\frac{{\rm OMEGAMAX}\times 2}{{\rm CSHIFT}\times5^{-1}}</math>



	== Related tag and articles ==		== Related tag and articles ==
	{{TAG\|~~NBANDSO~~}},		{{TAG\|IBSE}},
	[[BSE calculations]]		[[BSE calculations]]

Tal at 10:17, 20 October 2023

2023-10-20T10:17:08Z

← Older revision		Revision as of 10:17, 20 October 2023
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	Description: {{TAG\|BSEPREC}} determines the precision ~~for~~ the time-evolution ~~calculation in BSE and TDDFT~~, i.e., the ~~step size~~ and the number of steps.		Description: {{TAG\|BSEPREC}} determines the precision of the time-evolution algorithm for solving the Bethe-Salpeter or Casida equations, i.e., the timestep and the number of steps.

	----		----
	The timestep in the time-evolution calculation is inversely proportional to the maximum transition energy {{TAG\|OMEGAMAX}} and the number of steps is inversely proportional to the broadening {{TAG\|CSHIFT}}. ~~To make~~ the ~~algorithm sufficiently~~ stable these parameters are scaled depending on the precision tag {{TAG\|BSEPREC}}.		The timestep in the time-evolution calculation is inversely proportional to the maximum transition energy {{TAG\|OMEGAMAX}} and the number of steps is inversely proportional to the broadening {{TAG\|CSHIFT}}. Depending on the {{TAG\|BSEPREC}} stable these parameters are scaled depending on the precision tag {{TAG\|BSEPREC}}.

	::{\| cellpadding="5" cellspacing="0" border="1"		::{\| cellpadding="5" cellspacing="0" border="1"
	! BSEPREC !! OMEGAMAX !! CSHIFT		! BSEPREC !! OMEGAMAX !! CSHIFT
	\|-		\|-
	\| Accurate (a) \|\| ×4 \|\| ×10		\| Accurate (a) \|\| <math>\times 4</math> \|\| <math>\times 1/10</math>
	\|-		\|-
	\| High (h) \|\| ×3 \|\| ×7.5		\| High (h) \|\| <math>\times 3</math> \|\| <math>\times 1/7.5</math>
	\|-		\|-
	\| Medium (m) \|\| ×2.5 \|\| ~~×~~6.25		\| Medium (m) \|\| <math>\times 2.5</math> \|\| <math>\times1/6.25</math>
	\|-		\|-
	\| Low (l) \|\| ×2 \|\| ~~×~~5		\| Low (l) \|\| <math>\times 2</math> \|\| <math>\times1/5</math>
	\|}		\|}

	For example, the number of steps for {{TAG\|BSEPREC}} = Low is <math>N_{\rm steps}=\frac{~~OMEGAMAXx2~~}{~~CSHIFTx5~~}		For example, the number of steps for {{TAG\|BSEPREC}} = Low can be found <math>N_{\rm steps}=\frac{{\rm OMEGAMAX}\times 2}{{\rm CSHIFT}\times5^{-1}}</math>


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	== Related tag and articles ==		== Related tag and articles ==
	{{TAG\|NBANDSO}},		{{TAG\|NBANDSO}},
	[[BSE calculations~~]],~~		[[BSE calculations]]
	~~[[timepropagation~~]]

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

Tal at 09:13, 20 October 2023

2023-10-20T09:13:42Z

← Older revision		Revision as of 09:13, 20 October 2023
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	----		----
	The timestep ~~size~~ in the time-evolution calculation is inversely proportional to the maximum transition energy {{TAG\|OMEGAMAX}} and the number of steps is inversely proportional to the broadening {{TAG\|CSHIFT}}. {{TAG\|BSEPREC}} ~~defines~~		The timestep in the time-evolution calculation is inversely proportional to the maximum transition energy {{TAG\|OMEGAMAX}} and the number of steps is inversely proportional to the broadening {{TAG\|CSHIFT}}. To make the algorithm sufficiently stable these parameters are scaled depending on the precision tag {{TAG\|BSEPREC}}.

	::{\| cellpadding="5" cellspacing="0" border="1"		::{\| cellpadding="5" cellspacing="0" border="1"
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	\| Low (l) \|\| ×2 \|\| ×5		\| Low (l) \|\| ×2 \|\| ×5
	\|}		\|}

			For example, the number of steps for {{TAG\|BSEPREC}} = Low is <math>N_{\rm steps}=\frac{OMEGAMAXx2}{CSHIFTx5}

Tal: Created page with "{{TAGDEF|BSEPREC|Low {{!}} Medium {{!}} High {{!}} Accurate | Medium}} Description: {{TAG|BSEPREC}} determines the precision for the time-evolution calculation in BSE and T..."

2023-10-20T08:50:51Z

Created page with "{{TAGDEF|BSEPREC|Low {{!}} Medium {{!}} High {{!}} Accurate | Medium}} Description: {{TAG|BSEPREC}} determines the precision for the time-evolution calculation in BSE and T..."

New page

{{TAGDEF|BSEPREC|Low {{!}} Medium {{!}} High {{!}} Accurate | Medium}}

Description: {{TAG|BSEPREC}} determines the precision for the time-evolution calculation in BSE and TDDFT, i.e., the step size and the number of steps.

----
The timestep size in the time-evolution calculation is inversely proportional to the maximum transition energy {{TAG|OMEGAMAX}} and the number of steps is inversely proportional to the broadening {{TAG|CSHIFT}}. {{TAG|BSEPREC}} defines

::{| cellpadding="5" cellspacing="0" border="1"
! BSEPREC !! OMEGAMAX !! CSHIFT
|-
| Accurate (a) || ×4 || ×10
|-
| High (h) || ×3 || ×7.5
|-
| Medium (m) || ×2.5 || ×6.25
|-
| Low (l) || ×2 || ×5
|}

== Related tag and articles ==
{{TAG|NBANDSO}},
[[BSE calculations]],
[[timepropagation]]

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

[[Category:INCAR tag]] [[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]