LHARTREE - Revision history

Huebsch at 08:28, 3 November 2025

2025-11-03T08:28:54Z

← Older revision		Revision as of 08:28, 3 November 2025
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	{{TAG\|BSE calculations}}		{{TAG\|BSE calculations}}

	{{sc\|LHARTREE\|~~Examples~~\|~~Examples~~ that use this tag}}		{{sc\|LHARTREE\|Howto\|Workflows 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 14:54, 17 July 2024

2024-07-17T14:54:41Z

← Older revision		Revision as of 14:54, 17 July 2024
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	\|{{TAG\|LHARTREE}} \|\| {{TAG\|LADDER}} \|\|		\|{{TAG\|LHARTREE}} \|\| {{TAG\|LADDER}} \|\|
	\|-		\|-
	\| .TRUE. \|\| .TRUE. \|\| full BSE		\| .TRUE. \|\| .TRUE. \|\| full BSE / TDHF
	\|-		\|-
	\| .FALSE. \|\| .TRUE. \|\| only excitonic effects (ladders)		\| .FALSE. \|\| .TRUE. \|\| only excitonic effects (ladders)

Tal at 14:51, 17 July 2024

2024-07-17T14:51:06Z

← Older revision		Revision as of 14:51, 17 July 2024
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	\|{{TAG\|LHARTREE}} \|\| {{TAG\|LADDER}} \|\|		\|{{TAG\|LHARTREE}} \|\| {{TAG\|LADDER}} \|\|
	\|-		\|-
	\| .TRUE. \|\| .TRUE. \|\| full BSE ~~/ TDDFT~~		\| .TRUE. \|\| .TRUE. \|\| full BSE
	\|-		\|-
	\| .FALSE. \|\| .TRUE. \|\| only excitonic effects (ladders)		\| .FALSE. \|\| .TRUE. \|\| only excitonic effects (ladders)

Tal at 14:50, 17 July 2024

2024-07-17T14:50:22Z

← Older revision		Revision as of 14:50, 17 July 2024
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	\|{{TAG\|LHARTREE}} \|\| {{TAG\|LADDER}} \|\|		\|{{TAG\|LHARTREE}} \|\| {{TAG\|LADDER}} \|\|
	\|-		\|-
	\| .TRUE. \|\| .TRUE. \|\| full BSE		\| .TRUE. \|\| .TRUE. \|\| full BSE / TDDFT
	\|-		\|-
	\| .FALSE. \|\| .TRUE. \|\| only excitonic effects (ladders)		\| .FALSE. \|\| .TRUE. \|\| only excitonic effects (ladders)

Tal at 08:30, 19 July 2022

2022-07-19T08:30:27Z

← Older revision		Revision as of 08:30, 19 July 2022
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	The last combination can be useful for sanity checks: the results must be identical to the results obtained using		The last combination can be useful for sanity checks: the results must be identical to the results obtained using
	{{TAG\|LOPTICS}}=''.TRUE.'' in the preceding calculations. If this is not the case, it usually implies that the one-electron		{{TAG\|LOPTICS}}=''.TRUE.'' in the preceding calculations. If this is not the case, it usually implies that the one-electron
	energies have been updated in the {{TAG\|WAVECAR}} file, or that the {{TAG\|WAVEDER}} file is not properly set up. The end of ~~{{TAG~~\|BSE}} explains how to recalculate the {{TAG\|WAVEDER}} file from an existing {{TAG\|WAVECAR}} file.		energies have been updated in the {{TAG\|WAVECAR}} file, or that the {{TAG\|WAVEDER}} file is not properly set up. The end of [[BSE calculations\|BSE]] explains how to recalculate the {{TAG\|WAVEDER}} file from an existing {{TAG\|WAVECAR}} file.

	== Related tags and articles ==		== Related tags and articles ==

Huebsch at 12:13, 7 April 2022

2022-04-07T12:13:51Z

← Older revision		Revision as of 12:13, 7 April 2022
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	----		----

	{{TAG\|LADDER}} is used together with {{TAG\|LHARTREE}}. If {{TAG\|LADDER}}=''.FALSE.'', the ladder diagrams (i.e. the exchange terms related to <math>W</math> or the screened exchange) are not included.		{{TAG\|LADDER}} is used together with {{TAG\|LHARTREE}}. If {{TAG\|LADDER}}=''.FALSE.'', the ladder diagrams, i.e., the exchange terms related to <math>W</math> or the screened exchange, are not included.
	If {{TAG\|LHARTREE}}=''.FALSE.'', the Hartree diagrams or bubble diagrams are not included. The following table summarizes all possible combinations:		If {{TAG\|LHARTREE}}=''.FALSE.'', the Hartree diagrams or bubble diagrams are not included. The following table summarizes all possible combinations:

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	The last combination can be useful for sanity checks: the results must be identical to the results obtained using		The last combination can be useful for sanity checks: the results must be identical to the results obtained using
	{{TAG\|LOPTICS}}=''.TRUE.'' in the preceding calculations. If this is not the case, it usually implies that the one-electron		{{TAG\|LOPTICS}}=''.TRUE.'' in the preceding calculations. If this is not the case, it usually implies that the one-electron
	energies have been updated in the {{TAG\|WAVECAR}} file, or that the {{TAG\|WAVEDER}} file is not properly set up. The end of {{TAG\|BSE}} explains how to recalculate		energies have been updated in the {{TAG\|WAVECAR}} file, or that the {{TAG\|WAVEDER}} file is not properly set up. The end of {{TAG\|BSE}} explains how to recalculate the {{TAG\|WAVEDER}} file from an existing {{TAG\|WAVECAR}} file.
	the {{TAG\|WAVEDER}} file from an existing {{TAG\|WAVECAR}} file.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|LADDER}},		{{TAG\|LADDER}},
	{{TAG\|LOPTICS}},		{{TAG\|LOPTICS}},
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	----		----

	[[Category:INCAR]][[Category:Many-~~Body Perturbation Theory~~]][[Category:~~BSE~~]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]

Karsai at 08:29, 10 January 2022

2022-01-10T08:29:47Z

← Older revision		Revision as of 08:29, 10 January 2022
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	{{TAG\|LADDER}} is used together with {{TAG\|LHARTREE}}. If {{TAG\|LADDER}}=''.FALSE.'', the ladder diagrams (i.e. the exchange terms related to <math>W</math> or the screened exchange) are not included.		{{TAG\|LADDER}} is used together with {{TAG\|LHARTREE}}. If {{TAG\|LADDER}}=''.FALSE.'', the ladder diagrams (i.e. the exchange terms related to <math>W</math> or the screened exchange) are not included.
	If {{TAG\|~~HARTREE~~}}=''.FALSE.'', the Hartree diagrams or bubble diagrams are not included. The following table summarizes all possible combinations:		If {{TAG\|LHARTREE}}=''.FALSE.'', the Hartree diagrams or bubble diagrams are not included. The following table summarizes all possible combinations:

	::{\| cellpadding="5" cellspacing="0" border="1"		::{\| cellpadding="5" cellspacing="0" border="1"

Karsai at 15:06, 11 March 2019

2019-03-11T15:06:13Z

← Older revision		Revision as of 15:06, 11 March 2019
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	{{sc\|LHARTREE\|Examples\|Examples that use this tag}}		{{sc\|LHARTREE\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:BSE]]		[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:BSE]]

Karsai at 14:53, 11 March 2019

2019-03-11T14:53:14Z

← Older revision		Revision as of 14:53, 11 March 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:BSE]]		[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:BSE]]

Karsai: /* Related Tags and Sections */

2017-03-20T10:14:23Z

Related Tags and Sections

← Older revision		Revision as of 10:14, 20 March 2017
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	{{TAG\|LOPTICS}},		{{TAG\|LOPTICS}},
	{{TAG\|BSE calculations}}		{{TAG\|BSE calculations}}


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

← Older revision		Revision as of 08:29, 10 January 2022
Line 6:		Line 6:

	{{TAG\|LADDER}} is used together with {{TAG\|LHARTREE}}. If {{TAG\|LADDER}}=''.FALSE.'', the ladder diagrams (i.e. the exchange terms related to <math>W</math> or the screened exchange) are not included.		{{TAG\|LADDER}} is used together with {{TAG\|LHARTREE}}. If {{TAG\|LADDER}}=''.FALSE.'', the ladder diagrams (i.e. the exchange terms related to <math>W</math> or the screened exchange) are not included.
	If {{TAG\|~~HARTREE~~}}=''.FALSE.'', the Hartree diagrams or bubble diagrams are not included. The following table summarizes all possible combinations:		If {{TAG\|LHARTREE}}=''.FALSE.'', the Hartree diagrams or bubble diagrams are not included. The following table summarizes all possible combinations:

	::{\| cellpadding="5" cellspacing="0" border="1"		::{\| cellpadding="5" cellspacing="0" border="1"

← Older revision		Revision as of 10:14, 20 March 2017
Line 29:		Line 29:
	{{TAG\|LOPTICS}},		{{TAG\|LOPTICS}},
	{{TAG\|BSE calculations}}		{{TAG\|BSE calculations}}


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