LSCK - Revision history

Liebetreu: Reverted edit by Liebetreu (talk) to last revision by Tal

2026-04-15T12:37:49Z

Reverted edit by Liebetreu (talk) to last revision by Tal

← Older revision		Revision as of 12:37, 15 April 2026
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	\qquad \mbox{for} \quad \mathrm{ENCUTGWSOFT}=\frac{\hbar^2G_{min}^2}{2m_e}<\frac{\hbar^2 G^2}{2m_e}<\frac{\hbar^2G_{max}^2}{2m_e}=\mathrm{ENCUTGW}</math>		\qquad \mbox{for} \quad \mathrm{ENCUTGWSOFT}=\frac{\hbar^2G_{min}^2}{2m_e}<\frac{\hbar^2 G^2}{2m_e}<\frac{\hbar^2G_{max}^2}{2m_e}=\mathrm{ENCUTGW}</math>

	This kernel 'squeezes' the contributions from large wave vectors <math>G>G_{max}</math> into the window given by {{TAG\|ENCUTGWSOFT}}. Effectively, this extrapolates the random-phase-approximation–correlation energy to the {{TAG\|ENCUTGW}} <math>\to \infty</math> limit, assuming that the basis-set-incompleteness error falls off as <math>1/(</math>{{TAG\|ENCUTGW}}<math>)^{3/2}</math>.		This kernel 'squeezes' the contributions from large wave vectors <math>G>G_{max}</math> into the window given by {{TAG\|ENCUTGWSOFT}}. Effectively, this extrapolates the random-phase-approximation–correlation energy to the {{TAG\|ENCUTGW}} <math>\to \infty</math> limit, assuming that the basis-set-incompleteness error falls off as <math>1/</math>{{TAG\|ENCUTGW}}<math>^{3/2}</math>.
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|ENCUTGW}},		{{TAG\|ENCUTGW}},

Liebetreu at 11:43, 14 April 2026

2026-04-14T11:43:32Z

← Older revision		Revision as of 11:43, 14 April 2026
Line 11:		Line 11:
	\qquad \mbox{for} \quad \mathrm{ENCUTGWSOFT}=\frac{\hbar^2G_{min}^2}{2m_e}<\frac{\hbar^2 G^2}{2m_e}<\frac{\hbar^2G_{max}^2}{2m_e}=\mathrm{ENCUTGW}</math>		\qquad \mbox{for} \quad \mathrm{ENCUTGWSOFT}=\frac{\hbar^2G_{min}^2}{2m_e}<\frac{\hbar^2 G^2}{2m_e}<\frac{\hbar^2G_{max}^2}{2m_e}=\mathrm{ENCUTGW}</math>

	This kernel 'squeezes' the contributions from large wave vectors <math>G>G_{max}</math> into the window given by {{TAG\|ENCUTGWSOFT}}. Effectively, this extrapolates the random-phase-approximation–correlation energy to the {{TAG\|ENCUTGW}} <math>\to \infty</math> limit, assuming that the basis-set-incompleteness error falls off as <math>1/</math>{{TAG\|ENCUTGW}}<math>^{3/2}</math>.		This kernel 'squeezes' the contributions from large wave vectors <math>G>G_{max}</math> into the window given by {{TAG\|ENCUTGWSOFT}}. Effectively, this extrapolates the random-phase-approximation–correlation energy to the {{TAG\|ENCUTGW}} <math>\to \infty</math> limit, assuming that the basis-set-incompleteness error falls off as <math>1/(</math>{{TAG\|ENCUTGW}}<math>)^{3/2}</math>.
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|ENCUTGW}},		{{TAG\|ENCUTGW}},

Tal at 08:41, 29 August 2024

2024-08-29T08:41:07Z

← Older revision		Revision as of 08:41, 29 August 2024
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	{{TAGDEF\|LSCK\|[logical]\| .FALSE.}} Up to vasp.6.2, the default was LSCK = .TRUE.		{{TAGDEF\|LSCK\|[logical]\| .FALSE.}}
			{{NB\|important\|Up to vasp.6.2, the default was {{TAG\|LSCK}}{{=}} .TRUE.}}
	----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.		----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.
	If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:		If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:

Kresse at 08:02, 29 August 2024

2024-08-29T08:02:52Z

← Older revision		Revision as of 08:02, 29 August 2024
Line 1:		Line 1:
	{{TAGDEF\|LSCK\|[logical]\| .FALSE.}}		{{TAGDEF\|LSCK\|[logical]\| .FALSE.}} Up to vasp.6.2, the default was LSCK = .TRUE.
	Up to vasp.6.2, the default was LSCK = .TRUE.
	----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.		----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.
	If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:		If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:

Kresse: document when the default was updated

2024-08-29T08:02:35Z

document when the default was updated

← Older revision		Revision as of 08:02, 29 August 2024
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	{{TAGDEF\|LSCK\|[logical]\| .FALSE.}}		{{TAGDEF\|LSCK\|[logical]\| .FALSE.}}
			Up to vasp.6.2, the default was LSCK = .TRUE.
	Description: {{TAG\|LSCK}}=True switches on ~~the use of~~ the squeezed Coulomb kernel.		----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.
	~~----~~
	If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:		If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:

Huebsch at 10:05, 19 July 2022

2022-07-19T10:05:27Z

← Older revision		Revision as of 10:05, 19 July 2022
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	----		----

	[[Category:INCAR tag]][[Category:Many-~~Body Perturbation Theory~~]][[Category:GW]][[Category:ACFDT]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:ACFDT]]

Karsai: /* Related tags and articles */

2022-04-08T14:41:19Z

Huebsch at 17:01, 21 December 2021

2021-12-21T17:01:21Z

← Older revision		Revision as of 17:01, 21 December 2021
Line 12:		Line 12:
	\qquad \mbox{for} \quad \mathrm{ENCUTGWSOFT}=\frac{\hbar^2G_{min}^2}{2m_e}<\frac{\hbar^2 G^2}{2m_e}<\frac{\hbar^2G_{max}^2}{2m_e}=\mathrm{ENCUTGW}</math>		\qquad \mbox{for} \quad \mathrm{ENCUTGWSOFT}=\frac{\hbar^2G_{min}^2}{2m_e}<\frac{\hbar^2 G^2}{2m_e}<\frac{\hbar^2G_{max}^2}{2m_e}=\mathrm{ENCUTGW}</math>

	This kernel 'squeezes' the contributions from large wave vectors <math>G>G_{max}</math> into the window given by {{TAG\|ENCUTGWSOFT}}. Effectively, this extrapolates the random-phase-approximation–correlation energy to the {{TAG\|ENCUTGW}} <math>\to \infty</math> limit, assuming that the basis set incompleteness error falls off as <math>1/</math>{{TAG\|ENCUTGW}}<math>^{3/2}</math>.		This kernel 'squeezes' the contributions from large wave vectors <math>G>G_{max}</math> into the window given by {{TAG\|ENCUTGWSOFT}}. Effectively, this extrapolates the random-phase-approximation–correlation energy to the {{TAG\|ENCUTGW}} <math>\to \infty</math> limit, assuming that the basis-set-incompleteness error falls off as <math>1/</math>{{TAG\|ENCUTGW}}<math>^{3/2}</math>.
	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|ENCUTGW}},		{{TAG\|ENCUTGW}},
	{{TAG\|GW calculations}}		{{TAG\|GW calculations}}

Huebsch at 14:28, 20 December 2021

2021-12-20T14:28:21Z

← Older revision		Revision as of 14:28, 20 December 2021
Line 1:		Line 1:
	{{TAGDEF\|LSCK\|[logical]\| .FALSE.}}		{{TAGDEF\|LSCK\|[logical]\| .FALSE.}}

			Description: {{TAG\|LSCK}}=True switches on the use of the squeezed Coulomb kernel.
	----		----
	If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]]:{{cite\|riemelmoser:jcp:2020}}		If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:

	<math>v_{G} = 4 \pi e^2 \frac{		<math>v_{G} = 4 \pi e^2 \frac{
Line 10:		Line 12:
	\qquad \mbox{for} \quad \mathrm{ENCUTGWSOFT}=\frac{\hbar^2G_{min}^2}{2m_e}<\frac{\hbar^2 G^2}{2m_e}<\frac{\hbar^2G_{max}^2}{2m_e}=\mathrm{ENCUTGW}</math>		\qquad \mbox{for} \quad \mathrm{ENCUTGWSOFT}=\frac{\hbar^2G_{min}^2}{2m_e}<\frac{\hbar^2 G^2}{2m_e}<\frac{\hbar^2G_{max}^2}{2m_e}=\mathrm{ENCUTGW}</math>

	This kernel ''squeezes'' contributions from large wave vectors <math>G>G_{max}</math> into the window given by {{~~TAGBL~~\|ENCUTGWSOFT}}. Effectively, this extrapolates the ~~RPA~~ correlation energy to the {{TAG\|ENCUTGW}} <math>\to \infty</math> limit, assuming that the basis set incompleteness error falls off as <math>1/~~\mathrm~~{ENCUTGW}^{3/2}</math>.		This kernel 'squeezes' the contributions from large wave vectors <math>G>G_{max}</math> into the window given by {{TAG\|ENCUTGWSOFT}}. Effectively, this extrapolates the random-phase-approximation–correlation energy to the {{TAG\|ENCUTGW}} <math>\to \infty</math> limit, assuming that the basis set incompleteness error falls off as <math>1/</math>{{TAG\|ENCUTGW}}<math>^{3/2}</math>.
	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|ENCUTGW}},		{{TAG\|ENCUTGW}},

Kaltakm: /* Related Tags and Sections */

2021-11-23T12:49:32Z

Related Tags and Sections

← Older revision		Revision as of 12:49, 23 November 2021
Line 14:		Line 14:
	{{TAG\|ENCUTGW}},		{{TAG\|ENCUTGW}},
	{{TAG\|GW calculations}}		{{TAG\|GW calculations}}
			{{TAG\|ACFDT/RPA calculations}}

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

← Older revision		Revision as of 08:41, 29 August 2024
Line 1:		Line 1:
	{{TAGDEF\|LSCK\|[logical]\| .FALSE.}} Up to vasp.6.2, the default was LSCK = .TRUE.		{{TAGDEF\|LSCK\|[logical]\| .FALSE.}}
			{{NB\|important\|Up to vasp.6.2, the default was {{TAG\|LSCK}}{{=}} .TRUE.}}
	----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.		----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.
	If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:		If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:

← Older revision		Revision as of 08:02, 29 August 2024
Line 1:		Line 1:
	{{TAGDEF\|LSCK\|[logical]\| .FALSE.}}		{{TAGDEF\|LSCK\|[logical]\| .FALSE.}} Up to vasp.6.2, the default was LSCK = .TRUE.
	Up to vasp.6.2, the default was LSCK = .TRUE.
	----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.		----Description: {{TAG\|LSCK}}=.True. switches on the squeezed Coulomb kernel.
	If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:		If {{TAG\|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the [[ENCUTGWSOFT\|cosine window]] {{cite\|riemelmoser:jcp:2020}}:

← Older revision		Revision as of 14:41, 8 April 2022
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	{{sc\|LSCK\|Examples\|Examples that use this tag}}		{{sc\|LSCK\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:GW]][[Category:ACFDT]]		[[Category:INCAR tag]][[Category:Many-Body Perturbation Theory]][[Category:GW]][[Category:ACFDT]]

← Older revision		Revision as of 12:49, 23 November 2021
Line 14:		Line 14:
	{{TAG\|ENCUTGW}},		{{TAG\|ENCUTGW}},
	{{TAG\|GW calculations}}		{{TAG\|GW calculations}}
			{{TAG\|ACFDT/RPA calculations}}

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