NELMGW - Revision history

Pmelo at 12:23, 16 October 2024

2024-10-16T12:23:56Z

← Older revision		Revision as of 12:23, 16 October 2024
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	{{TAGDEF\|NELMGW\|[integer]\|1}}		{{TAGDEF\|NELMGW\|[integer]\|1}}

	Description: {{TAG\|NELMGW}} sets the number of self-consistent GW steps~~, or the number of time steps used during time propagation~~.		Description: {{TAG\|NELMGW}} sets the number of self-consistent GW steps.
	Available as of 6.3.0.		Available as of 6.3.0.

	----		----
	This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] ~~\| TIMEEV~~ and ignored otherwise.		This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] and ignored otherwise.
	For instance		For instance
	{{TAG\|ALGO}} = EVGW0		{{TAG\|ALGO}} = EVGW0
Line 13:		Line 13:
	Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].		Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].

	When {{TAG\|ALGO}} = TIMEEV, VASP will perform a [[Construction:Time-evolution\|time-dependent]] calculation. {{TAG\|NELMGW}} will determine how many time steps will be performed. If it is lower than 100 VASP will use the default value, 20000.

	== Related tags and articles==		== Related tags and articles==
	{{TAG\|ALGO}}, [[GW calculations~~]], [[Construction:Time-evolution~~]]		{{TAG\|ALGO}}, [[GW calculations]]

	{{sc\|NELMGW\|Examples\|Examples that use this tag}}		{{sc\|NELMGW\|Examples\|Examples that use this tag}}
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	[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA~~]][[Category:Linear response~~]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]]

Pmelo at 12:20, 16 October 2024

2024-10-16T12:20:51Z

← Older revision		Revision as of 12:20, 16 October 2024
Line 1:		Line 1:
	{{TAGDEF\|NELMGW\|[integer]\|1}}		{{TAGDEF\|NELMGW\|[integer]\|1}}

	Description: {{TAG\|NELMGW}} sets the number of self-consistent GW steps.		Description: {{TAG\|NELMGW}} sets the number of self-consistent GW steps, or the number of time steps used during time propagation.
	Available as of 6.3.0.		Available as of 6.3.0.

	----		----
	This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] and ignored otherwise.		This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] \| TIMEEV and ignored otherwise.
	For instance		For instance
	{{TAG\|ALGO}} = EVGW0		{{TAG\|ALGO}} = EVGW0
Line 12:		Line 12:

	Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].		Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].

			When {{TAG\|ALGO}} = TIMEEV, VASP will perform a [[Construction:Time-evolution\|time-dependent]] calculation. {{TAG\|NELMGW}} will determine how many time steps will be performed. If it is lower than 100 VASP will use the default value, 20000.

	== Related tags and articles==		== Related tags and articles==
	{{TAG\|ALGO}}, [[GW calculations]]		{{TAG\|ALGO}}, [[GW calculations]], [[Construction:Time-evolution]]

	{{sc\|NELMGW\|Examples\|Examples that use this tag}}		{{sc\|NELMGW\|Examples\|Examples that use this tag}}
Line 20:		Line 22:


	[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]][[Category:Linear response]]

Huebsch at 08:51, 21 February 2024

2024-02-21T08:51:25Z

← Older revision		Revision as of 08:51, 21 February 2024
Line 20:		Line 20:


	[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW~~]][[Category:VASP6~~]][[Category:Low-scaling GW and RPA]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]]

Huebsch at 10:21, 19 July 2022

2022-07-19T10:21:34Z

← Older revision		Revision as of 10:21, 19 July 2022
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	[[Category:INCAR tag]][[Category:Many-~~Body Perturbation Theory~~]][[Category:GW]][[Category:VASP6]][[Category:Low-scaling GW and RPA]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:VASP6]][[Category:Low-scaling GW and RPA]]

Karsai: /* Related tags and articles */

2022-04-08T14:47:49Z

Huebsch at 08:52, 29 December 2021

2021-12-29T08:52:53Z

← Older revision		Revision as of 08:52, 29 December 2021
Line 1:		Line 1:
	{{TAGDEF\|NELMGW\|[integer]\|1}}		{{TAGDEF\|NELMGW\|[integer]\|1}}

	Description: ~~Controls~~ the number of self-consistent GW steps.		Description: {{TAG\|NELMGW}} sets the number of self-consistent GW steps.
	Available as of 6.3.0.		Available as of 6.3.0.

	----		----
	This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] \| and ignored otherwise.		This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] and ignored otherwise.
	For instance		For instance
	{{TAG\|ALGO}} = EVGW0		{{TAG\|ALGO}} = EVGW0
	{{TAG\|NELMGW}} = 4		{{TAG\|NELMGW}} = 4
	performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where <math>G</math> is updated four times.		performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where <math>G</math> is updated four times.
	~~All supported {{TAG\|ALGO}} tags related to <math>GW</math> calculations are described [[GW calculations\|here]].~~

	Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].		Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].

			== Related tags and articles==
	=== Related ~~Tags~~ and ~~Sections =~~==		{{TAG\|ALGO}}, [[GW calculations]]
	{{TAG\|ALGO}}

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

Huebsch at 11:05, 20 December 2021

2021-12-20T11:05:17Z

← Older revision		Revision as of 11:05, 20 December 2021
Line 6:		Line 6:
	----		----
	This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] \| and ignored otherwise.		This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] \| and ignored otherwise.
	For instance		For instance
	NELMGW = 4 ~~and ALGO = EVGW0~~		{{TAG\|ALGO}} = EVGW0
	performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where G is updated four times.		{{TAG\|NELMGW}} = 4
	All supported ALGO tags are described [[GW calculations\|here]].		performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where <math>G</math> is updated four times.
			All supported {{TAG\|ALGO}} tags related to <math>GW</math> calculations are described [[GW calculations\|here]].

	Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single step GW procedure]].		Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].

Kaltakm at 12:25, 22 November 2021

2021-11-22T12:25:45Z

← Older revision		Revision as of 12:25, 22 November 2021
Line 11:		Line 11:
	All supported ALGO tags are described [[GW calculations\|here]].		All supported ALGO tags are described [[GW calculations\|here]].

	~~Do not set~~ {{TAG\|NBANDS}} to select the [[GW calculations#GW_in_one_go\|single step GW procedure]].		Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single step GW procedure]].

	~~This tag can be used in combination with {{TAG\|NELM}}.~~

	=== Related Tags and Sections ===		=== Related Tags and Sections ===

Kaltakm at 12:20, 22 November 2021

2021-11-22T12:20:29Z

← Older revision		Revision as of 12:20, 22 November 2021
Line 10:		Line 10:
	performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where G is updated four times.		performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where G is updated four times.
	All supported ALGO tags are described [[GW calculations\|here]].		All supported ALGO tags are described [[GW calculations\|here]].

			Do not set {{TAG\|NBANDS}} to select the [[GW calculations#GW_in_one_go\|single step GW procedure]].

			This tag can be used in combination with {{TAG\|NELM}}.

	=== Related Tags and Sections ===		=== Related Tags and Sections ===

Kaltakm at 12:16, 22 November 2021

2021-11-22T12:16:44Z

← Older revision		Revision as of 12:16, 22 November 2021
Line 9:		Line 9:
	NELMGW = 4 and ALGO = EVGW0		NELMGW = 4 and ALGO = EVGW0
	performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where G is updated four times.		performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where G is updated four times.
	~~See~~ [[GW calculations]] ~~for supported ALGO tags~~.		All supported ALGO tags are described [[GW calculations\|here]].

	=== Related Tags and Sections ===		=== Related Tags and Sections ===

← Older revision		Revision as of 08:52, 29 December 2021
Line 1:		Line 1:
	{{TAGDEF\|NELMGW\|[integer]\|1}}		{{TAGDEF\|NELMGW\|[integer]\|1}}

	Description: ~~Controls~~ the number of self-consistent GW steps.		Description: {{TAG\|NELMGW}} sets the number of self-consistent GW steps.
	Available as of 6.3.0.		Available as of 6.3.0.

	----		----
	This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] \| and ignored otherwise.		This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] and ignored otherwise.
	For instance		For instance
	{{TAG\|ALGO}} = EVGW0		{{TAG\|ALGO}} = EVGW0
	{{TAG\|NELMGW}} = 4		{{TAG\|NELMGW}} = 4
	performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where <math>G</math> is updated four times.		performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where <math>G</math> is updated four times.
	~~All supported {{TAG\|ALGO}} tags related to <math>GW</math> calculations are described [[GW calculations\|here]].~~

	Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].		Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].

			== Related tags and articles==
	=== Related ~~Tags~~ and ~~Sections =~~==		{{TAG\|ALGO}}, [[GW calculations]]
	{{TAG\|ALGO}}

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

← Older revision		Revision as of 11:05, 20 December 2021
Line 6:		Line 6:
	----		----
	This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] \| and ignored otherwise.		This tag is effective for {{TAG\|ALGO}}=EVGW[0] \| QPGW[0] \| GW[0][R][K] \| and ignored otherwise.
	For instance		For instance
	NELMGW = 4 ~~and ALGO = EVGW0~~		{{TAG\|ALGO}} = EVGW0
	performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where G is updated four times.		{{TAG\|NELMGW}} = 4
	All supported ALGO tags are described [[GW calculations\|here]].		performs a [[GW calculations#gw0\| partially self-consistent GW calculations]], where <math>G</math> is updated four times.
			All supported {{TAG\|ALGO}} tags related to <math>GW</math> calculations are described [[GW calculations\|here]].

	Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single step GW procedure]].		Omit {{TAG\|NBANDS}} and {{TAG\|NELM}} to select the [[GW calculations#GW_in_one_go\|single-step GW procedure]].

← Older revision		Revision as of 14:47, 8 April 2022
Line 20:		Line 20:


	[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:GW]][[Category:VASP6]][[Category:Low-scaling GW and RPA]]		[[Category:INCAR tag]][[Category:Many-Body Perturbation Theory]][[Category:GW]][[Category:VASP6]][[Category:Low-scaling GW and RPA]]