ELPH MODE - Revision history

Csheldon: /* {{TAG|ELPH_MODE|transport}} - Transport calculation */

2025-10-24T08:38:04Z

{{TAG|ELPH_MODE|transport}} - Transport calculation

← Older revision		Revision as of 08:38, 24 October 2025
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	* {{TAG\|ELPH_SELFEN_DELTA\|0}}		* {{TAG\|ELPH_SELFEN_DELTA\|0}}
	* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}		* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}
	*{{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}		* {{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}
	* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}		* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}

Csheldon: /* Tag options */

2025-10-24T08:38:00Z

Tag options

← Older revision		Revision as of 08:38, 24 October 2025
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	* {{TAG\|ELPH_SELFEN_DELTA\|0}}		* {{TAG\|ELPH_SELFEN_DELTA\|0}}
	* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}		* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}
	~~<!--~~* {{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}~~-->~~		*{{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}
	* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}		* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}

Singraber at 08:09, 24 October 2025

2025-10-24T08:09:48Z

← Older revision		Revision as of 08:09, 24 October 2025
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	== Tag options ==		== Tag options ==

	=== {{~~TAGO~~\|ELPH_MODE\|renorm}} - Band-gap renormalization ===		=== {{TAG\|ELPH_MODE\|renorm}} - Band-gap renormalization ===

	* {{~~TAGO~~\|ELPH_RUN\|True}}		* {{TAG\|ELPH_RUN\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_FAN\|True}}		* {{TAG\|ELPH_SELFEN_FAN\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_DW\|True}}		* {{TAG\|ELPH_SELFEN_DW\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_GAPS\|True}}		* {{TAG\|ELPH_SELFEN_GAPS\|True}}
	* {{~~TAGO~~\|ELPH_NBANDS\|-2}}		* {{TAG\|ELPH_NBANDS\|-2}}
	* {{~~TAGO~~\|ELPH_SELFEN_DELTA\|0.01}}		* {{TAG\|ELPH_SELFEN_DELTA\|0.01}}

	=== {{~~TAGO~~\|ELPH_MODE\|transport}} - Transport calculation ===		=== {{TAG\|ELPH_MODE\|transport}} - Transport calculation ===

	* {{~~TAGO~~\|ELPH_RUN\|True}}		* {{TAG\|ELPH_RUN\|True}}
	* {{~~TAGO~~\|ELPH_TRANSPORT\|True}}		* {{TAG\|ELPH_TRANSPORT\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_FAN\|True}}		* {{TAG\|ELPH_SELFEN_FAN\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_DW\|False}}		* {{TAG\|ELPH_SELFEN_DW\|False}}
	* {{~~TAGO~~\|ELPH_SCATTERING_APPROX\|serta mrta_lambda}}		* {{TAG\|ELPH_SCATTERING_APPROX\|serta mrta_lambda}}
	* {{~~TAGO~~\|ELPH_SELFEN_CARRIER_DEN\|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}		* {{TAG\|ELPH_SELFEN_CARRIER_DEN\|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}
	* {{~~TAGO~~\|ELPH_SELFEN_DELTA\|0}}		* {{TAG\|ELPH_SELFEN_DELTA\|0}}
	* {{~~TAGO~~\|ELPH_SELFEN_IMAG_SKIP\|True}}		* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}
	<!--* {{~~TAGO~~\|ELPH_SELFEN_BROAD_TOL\|1e-4}}-->		<!--* {{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}-->
	* {{~~TAGO~~\|ELPH_WF_REDISTRIBUTE\|True}}		* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}

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

Miranda.henrique: /* Related tags and articles */

2025-10-23T10:18:04Z

Csheldon: /* {{TAGO|ELPH_MODE|transport}} - Transport calculation */

2025-10-22T14:34:21Z

{{TAGO|ELPH_MODE|transport}} - Transport calculation

← Older revision		Revision as of 14:34, 22 October 2025
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	* {{TAGO\|ELPH_SELFEN_DELTA\|0}}		* {{TAGO\|ELPH_SELFEN_DELTA\|0}}
	* {{TAGO\|ELPH_SELFEN_IMAG_SKIP\|True}}		* {{TAGO\|ELPH_SELFEN_IMAG_SKIP\|True}}
	* {{TAGO\|ELPH_SELFEN_BROAD_TOL\|1e-4}}		<!--* {{TAGO\|ELPH_SELFEN_BROAD_TOL\|1e-4}}-->
	* {{TAGO\|ELPH_WF_REDISTRIBUTE\|True}}		* {{TAGO\|ELPH_WF_REDISTRIBUTE\|True}}

Csheldon at 14:34, 22 October 2025

2025-10-22T14:34:01Z

← Older revision		Revision as of 14:34, 22 October 2025
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	* {{TAGO\|ELPH_SELFEN_CARRIER_DEN\|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}		* {{TAGO\|ELPH_SELFEN_CARRIER_DEN\|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}
	* {{TAGO\|ELPH_SELFEN_DELTA\|0}}		* {{TAGO\|ELPH_SELFEN_DELTA\|0}}
	~~<!--~~* {{TAGO\|ELPH_SELFEN_IMAG_SKIP\|True}}		* {{TAGO\|ELPH_SELFEN_IMAG_SKIP\|True}}
	* {{TAGO\|ELPH_SELFEN_BROAD_TOL\|1e-4}}		* {{TAGO\|ELPH_SELFEN_BROAD_TOL\|1e-4}}
	* {{TAGO\|ELPH_WF_REDISTRIBUTE\|True}}~~-->~~		* {{TAGO\|ELPH_WF_REDISTRIBUTE\|True}}

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

Miranda.henrique at 15:03, 16 October 2025

2025-10-16T15:03:25Z

← Older revision		Revision as of 15:03, 16 October 2025
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	* {{TAGO\|ELPH_SELFEN_CARRIER_DEN\|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}		* {{TAGO\|ELPH_SELFEN_CARRIER_DEN\|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}
	* {{TAGO\|ELPH_SELFEN_DELTA\|0}}		* {{TAGO\|ELPH_SELFEN_DELTA\|0}}
			<!--* {{TAGO\|ELPH_SELFEN_IMAG_SKIP\|True}}
			* {{TAGO\|ELPH_SELFEN_BROAD_TOL\|1e-4}}
			* {{TAGO\|ELPH_WF_REDISTRIBUTE\|True}}-->

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

Huebsch at 08:57, 5 February 2025

2025-02-05T08:57:10Z

← Older revision		Revision as of 08:57, 5 February 2025
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	The required {{FILE\|INCAR}} settings for electron-phonon calculations depend on the type of calculation.		The required {{FILE\|INCAR}} settings for electron-phonon calculations depend on the type of calculation.
	For example, computing the [[Bandgap renormalization due to electron-phonon coupling\|renormalization of the electronic ~~bandstructure~~]] requires a different set of options than computing [[Transport coefficients including electron-phonon scattering\|transport properties]].		For example, computing the [[Bandgap renormalization due to electron-phonon coupling\|renormalization of the electronic band structure]] requires a different set of options than computing [[Transport coefficients including electron-phonon scattering\|transport properties]].
	The {{TAG\|ELPH_MODE}} tag can help you get started with electron-phonon calculations by selecting reasonable default values for other {{FILE\|INCAR}} tags based on the type of calculation.		The {{TAG\|ELPH_MODE}} tag can help you get started with electron-phonon calculations by selecting reasonable default values for other {{FILE\|INCAR}} tags based on the type of calculation.

Mani: Add availability notice

2025-01-17T14:22:33Z

Add availability notice

← Older revision		Revision as of 14:22, 17 January 2025
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	Description: Meta tag that selects reasonable defaults for electron-phonon calculations		Description: Meta tag that selects reasonable defaults for electron-phonon calculations
			{{Available\|6.5.0}}

	----		----

Mani: Create page

2024-12-20T14:58:04Z

Create page

New page

{{DISPLAYTITLE:ELPH_MODE}}
{{TAGDEF|ELPH_MODE|[string]}}

Description: Meta tag that selects reasonable defaults for electron-phonon calculations

----

The required {{FILE|INCAR}} settings for electron-phonon calculations depend on the type of calculation.
For example, computing the [[Bandgap renormalization due to electron-phonon coupling|renormalization of the electronic bandstructure]] requires a different set of options than computing [[Transport coefficients including electron-phonon scattering|transport properties]].
The {{TAG|ELPH_MODE}} tag can help you get started with electron-phonon calculations by selecting reasonable default values for other {{FILE|INCAR}} tags based on the type of calculation.

The individual tags that are set by {{TAG|ELPH_MODE}} can still be overwritten by specifying them explicitly in the {{FILE|INCAR}} file.

== Tag options ==

=== {{TAGO|ELPH_MODE|renorm}} - Band-gap renormalization ===

* {{TAGO|ELPH_RUN|True}}
* {{TAGO|ELPH_SELFEN_FAN|True}}
* {{TAGO|ELPH_SELFEN_DW|True}}
* {{TAGO|ELPH_SELFEN_GAPS|True}}
* {{TAGO|ELPH_NBANDS|-2}}
* {{TAGO|ELPH_SELFEN_DELTA|0.01}}

=== {{TAGO|ELPH_MODE|transport}} - Transport calculation ===

* {{TAGO|ELPH_RUN|True}}
* {{TAGO|ELPH_TRANSPORT|True}}
* {{TAGO|ELPH_SELFEN_FAN|True}}
* {{TAGO|ELPH_SELFEN_DW|False}}
* {{TAGO|ELPH_SCATTERING_APPROX|serta mrta_lambda}}
* {{TAGO|ELPH_SELFEN_CARRIER_DEN|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}
* {{TAGO|ELPH_SELFEN_DELTA|0}}

==Related tags and articles==
* [[Bandgap renormalization due to electron-phonon coupling|Bandstructure renormalization]]
* [[Transport coefficients including electron-phonon scattering|Transport calculations]]
* {{TAG|ELPH_RUN}}
* {{TAG|ELPH_TRANSPORT}}
* {{TAG|ELPH_DRIVER}}

[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]

← Older revision		Revision as of 08:38, 24 October 2025
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	* {{TAG\|ELPH_SELFEN_DELTA\|0}}		* {{TAG\|ELPH_SELFEN_DELTA\|0}}
	* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}		* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}
	*{{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}		* {{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}
	* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}		* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}

← Older revision		Revision as of 08:38, 24 October 2025
Line 34:		Line 34:
	* {{TAG\|ELPH_SELFEN_DELTA\|0}}		* {{TAG\|ELPH_SELFEN_DELTA\|0}}
	* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}		* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}
	~~<!--~~* {{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}~~-->~~		*{{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}
	* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}		* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}

← Older revision		Revision as of 08:09, 24 October 2025
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	== Tag options ==		== Tag options ==

	=== {{~~TAGO~~\|ELPH_MODE\|renorm}} - Band-gap renormalization ===		=== {{TAG\|ELPH_MODE\|renorm}} - Band-gap renormalization ===

	* {{~~TAGO~~\|ELPH_RUN\|True}}		* {{TAG\|ELPH_RUN\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_FAN\|True}}		* {{TAG\|ELPH_SELFEN_FAN\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_DW\|True}}		* {{TAG\|ELPH_SELFEN_DW\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_GAPS\|True}}		* {{TAG\|ELPH_SELFEN_GAPS\|True}}
	* {{~~TAGO~~\|ELPH_NBANDS\|-2}}		* {{TAG\|ELPH_NBANDS\|-2}}
	* {{~~TAGO~~\|ELPH_SELFEN_DELTA\|0.01}}		* {{TAG\|ELPH_SELFEN_DELTA\|0.01}}

	=== {{~~TAGO~~\|ELPH_MODE\|transport}} - Transport calculation ===		=== {{TAG\|ELPH_MODE\|transport}} - Transport calculation ===

	* {{~~TAGO~~\|ELPH_RUN\|True}}		* {{TAG\|ELPH_RUN\|True}}
	* {{~~TAGO~~\|ELPH_TRANSPORT\|True}}		* {{TAG\|ELPH_TRANSPORT\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_FAN\|True}}		* {{TAG\|ELPH_SELFEN_FAN\|True}}
	* {{~~TAGO~~\|ELPH_SELFEN_DW\|False}}		* {{TAG\|ELPH_SELFEN_DW\|False}}
	* {{~~TAGO~~\|ELPH_SCATTERING_APPROX\|serta mrta_lambda}}		* {{TAG\|ELPH_SCATTERING_APPROX\|serta mrta_lambda}}
	* {{~~TAGO~~\|ELPH_SELFEN_CARRIER_DEN\|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}		* {{TAG\|ELPH_SELFEN_CARRIER_DEN\|-1e21 -1e20 -1e19 -1e18 -1e17 -1e16 0 1e16 1e17 1e18 1e19 1e20 1e21}}
	* {{~~TAGO~~\|ELPH_SELFEN_DELTA\|0}}		* {{TAG\|ELPH_SELFEN_DELTA\|0}}
	* {{~~TAGO~~\|ELPH_SELFEN_IMAG_SKIP\|True}}		* {{TAG\|ELPH_SELFEN_IMAG_SKIP\|True}}
	<!--* {{~~TAGO~~\|ELPH_SELFEN_BROAD_TOL\|1e-4}}-->		<!--* {{TAG\|ELPH_SELFEN_BROAD_TOL\|1e-4}}-->
	* {{~~TAGO~~\|ELPH_WF_REDISTRIBUTE\|True}}		* {{TAG\|ELPH_WF_REDISTRIBUTE\|True}}

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

← Older revision		Revision as of 10:18, 23 October 2025
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	* {{TAG\|ELPH_RUN}}		* {{TAG\|ELPH_RUN}}
	* {{TAG\|ELPH_TRANSPORT}}		* {{TAG\|ELPH_TRANSPORT}}
			* {{TAG\|ELPH_TRANSPORT_DRIVER}}
	* {{TAG\|ELPH_DRIVER}}		* {{TAG\|ELPH_DRIVER}}

	[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]		[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]