ELPH ISMEAR - Revision history

Miranda.henrique: /* Tag options */

2025-10-24T13:07:22Z

Tag options

← Older revision		Revision as of 13:07, 24 October 2025
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	:Tetrahedron method (finite temperature) with Blöchl corrections		:Tetrahedron method (finite temperature) with Blöchl corrections
	;{{TAG\|ELPH_ISMEAR\|-24}}		;{{TAG\|ELPH_ISMEAR\|-24}}
	:Tetrahedron method (finite temperature) - memory ~~and time efficient~~		:Tetrahedron method (finite temperature) - same as -14 but using a faster and memory saving algorithm

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

Singraber at 08:07, 24 October 2025

2025-10-24T08:07:07Z

← Older revision		Revision as of 08:07, 24 October 2025
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	== Tag options ==		== Tag options ==
	;{{~~TAGO~~\|ELPH_ISMEAR\|1\|op=>}}		;{{TAG\|ELPH_ISMEAR\|1\|op=>}}
	:Method of Methfessel-Paxton of order {{TAG\|ELPH_ISMEAR}} (for details see {{TAG\|ISMEAR}})		:Method of Methfessel-Paxton of order {{TAG\|ELPH_ISMEAR}} (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|0}}		;{{TAG\|ELPH_ISMEAR\|0}}
	:Gaussian smearing (for details see {{TAG\|ISMEAR}})		:Gaussian smearing (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|-1}}		;{{TAG\|ELPH_ISMEAR\|-1}}
	:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})		:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|-4}}		;{{TAG\|ELPH_ISMEAR\|-4}}
	:Tetrahedron method (zero temperature) (for details see {{TAG\|ISMEAR}})		:Tetrahedron method (zero temperature) (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|-5}}		;{{TAG\|ELPH_ISMEAR\|-5}}
	:Tetrahedron method (zero temperature) with Blöchl corrections (for details see {{TAG\|ISMEAR}})		:Tetrahedron method (zero temperature) with Blöchl corrections (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|-14}}		;{{TAG\|ELPH_ISMEAR\|-14}}
	:Tetrahedron method (finite temperature)		:Tetrahedron method (finite temperature)
	;{{~~TAGO~~\|ELPH_ISMEAR\|-15}}		;{{TAG\|ELPH_ISMEAR\|-15}}
	:Tetrahedron method (finite temperature) with Blöchl corrections		:Tetrahedron method (finite temperature) with Blöchl corrections
	;{{~~TAGO~~\|ELPH_ISMEAR\|-24}}		;{{TAG\|ELPH_ISMEAR\|-24}}
	:Tetrahedron method (finite temperature) - memory and time efficient		:Tetrahedron method (finite temperature) - memory and time efficient

Csheldon: /* Tag options */

2025-10-23T14:34:51Z

Tag options

← Older revision		Revision as of 14:34, 23 October 2025
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	;{{TAGO\|ELPH_ISMEAR\|-15}}		;{{TAGO\|ELPH_ISMEAR\|-15}}
	:Tetrahedron method (finite temperature) with Blöchl corrections		:Tetrahedron method (finite temperature) with Blöchl corrections
			;{{TAGO\|ELPH_ISMEAR\|-24}}
			:Tetrahedron method (finite temperature) - memory and time efficient

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

Mani: Add availability notice

2025-01-17T14:22:08Z

Add availability notice

← Older revision		Revision as of 14:22, 17 January 2025
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	Description: Chooses the smearing method to determine the fermi level and chemical potential before an electron-phonon calculation.		Description: Chooses the smearing method to determine the fermi level and chemical potential before an electron-phonon calculation.
			{{Available\|6.5.0}}

	----		----

Mani: /* Related tags and articles */ change related items to list

2024-12-19T15:06:08Z

Related tags and articles: change related items to list

← Older revision		Revision as of 15:06, 19 December 2024
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	==Related tags and articles==		==Related tags and articles==
	{{TAG \| ISMEAR}},		* {{TAG \| ISMEAR}}
	{{TAG \| ELPH_SELFEN_MU}},		* {{TAG \| ELPH_SELFEN_MU}}
	{{FILE \| KPOINTS_ELPH}}		* {{FILE \| KPOINTS_ELPH}}

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

Mani: List all possible values explicitly in header

2024-12-19T12:33:27Z

List all possible values explicitly in header

← Older revision		Revision as of 12:33, 19 December 2024
Line 1:		Line 1:
	{{DISPLAYTITLE:ELPH_ISMEAR}}		{{DISPLAYTITLE:ELPH_ISMEAR}}
	{{TAGDEF\|ELPH_ISMEAR\|[integer]\|0}}		{{TAGDEF\|ELPH_ISMEAR\|-15 {{!}} -14 {{!}} -5 {{!}} -4 {{!}} -1 {{!}} 0 {{!}} [integer]>0 \|0}}

	Description: Chooses the smearing method to determine the fermi level and chemical potential before an electron-phonon calculation.		Description: Chooses the smearing method to determine the fermi level and chemical potential before an electron-phonon calculation.

Mani: /* Tag options */

2024-12-19T12:31:32Z

Tag options

← Older revision		Revision as of 12:31, 19 December 2024
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	:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})		:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})
	;{{TAGO\|ELPH_ISMEAR\|-4}}		;{{TAGO\|ELPH_ISMEAR\|-4}}
	:Tetrahedron method at zero temperature (for details see {{TAG\|ISMEAR}})		:Tetrahedron method (zero temperature) (for details see {{TAG\|ISMEAR}})
	;{{TAGO\|ELPH_ISMEAR\|-5}}		;{{TAGO\|ELPH_ISMEAR\|-5}}
	:Tetrahedron method at zero temperature with Blöchl corrections (for details see {{TAG\|ISMEAR}})		:Tetrahedron method (zero temperature) with Blöchl corrections (for details see {{TAG\|ISMEAR}})
	;{{TAGO\|ELPH_ISMEAR\|-14}}		;{{TAGO\|ELPH_ISMEAR\|-14}}
	:Tetrahedron method at finite temperature		:Tetrahedron method (finite temperature)
	;{{TAGO\|ELPH_ISMEAR\|-15}}		;{{TAGO\|ELPH_ISMEAR\|-15}}
	:Tetrahedron method at finite temperature with Blöchl corrections		:Tetrahedron method (finite temperature) with Blöchl corrections

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

Mani: /* Related tags and articles */ Remove unused tag

2024-12-19T12:30:46Z

Related tags and articles: Remove unused tag

← Older revision		Revision as of 12:30, 19 December 2024
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	==Related tags and articles==		==Related tags and articles==
	{{TAG \| ISMEAR}},		{{TAG \| ISMEAR}},
	~~{{TAG \| ELPH_FERMI_NEDOS}},~~
	{{TAG \| ELPH_SELFEN_MU}},		{{TAG \| ELPH_SELFEN_MU}},
	{{FILE \| KPOINTS_ELPH}}		{{FILE \| KPOINTS_ELPH}}

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

Mani: Update page for release version

2024-12-19T11:19:54Z

Update page for release version

← Older revision		Revision as of 11:19, 19 December 2024
Line 1:		Line 1:
	{{DISPLAYTITLE:ELPH_ISMEAR}}		{{DISPLAYTITLE:ELPH_ISMEAR}}
	{{TAGDEF\|ELPH_ISMEAR\|[integer]\|~~{{TAG\|ISMEAR}}~~}}		{{TAGDEF\|ELPH_ISMEAR\|[integer]\|0}}

	Description: ~~Choose~~ the smearing method to determine the fermi level and chemical potential before an electron-phonon calculation.		Description: Chooses the smearing method to determine the fermi level and chemical potential before an electron-phonon calculation.

	----		----

	~~The possible values and their meaning are documented in~~ {{TAG\|ISMEAR}}.		{{TAG\|ELPH_ISMEAR}} is very similar to {{TAG\|ISMEAR}}.
	The difference ~~between~~ {{TAG\|~~ISMEAR~~}} ~~and this tag~~ is ~~that this tag refers~~ to ~~the step where~~ the chemical potential ~~is determined for~~ the Kohn-Sham states ~~on a~~ <b>k</b> ~~points~~ grid specified by {{FILE\|KPOINTS_ELPH}}.		The difference is that {{TAG\|ELPH_ISMEAR}} is used to determine the chemical potential in the context of electron-phonon calculation.
			The Kohn-Sham states for which to calculate the chemical potential correspond to the <b>k</b>-point grid specified via the {{FILE\|KPOINTS_ELPH}} file.

	The chemical potential is determined for the list of temperatures {{TAG\|ELPH_SELFEN_TEMPS}} and carrier concentrations specified by		The chemical potential is determined for the list of temperatures {{TAG\|ELPH_SELFEN_TEMPS}} and carrier concentrations specified by
	{{TAG\|ELPH_SELFEN_CARRIER_DEN}} or {{TAG\|ELPH_SELFEN_CARRIER_PER_CELL}}. Alternatively, one can specify the chemical potential and determine the carrier concentration using {{TAG\|ELPH_SELFEN_MU}}.		{{TAG\|ELPH_SELFEN_CARRIER_DEN}} or {{TAG\|ELPH_SELFEN_CARRIER_PER_CELL}}. Alternatively, one can specify the chemical potential and determine the carrier concentration using {{TAG\|ELPH_SELFEN_MU}}.

			== Tag options ==
			;{{TAGO\|ELPH_ISMEAR\|1\|op=>}}
			:Method of Methfessel-Paxton of order {{TAG\|ELPH_ISMEAR}} (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|0}}
			:Gaussian smearing (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|-1}}
			:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|-4}}
			:Tetrahedron method at zero temperature (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|-5}}
			:Tetrahedron method at zero temperature with Blöchl corrections (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|-14}}
			:Tetrahedron method at finite temperature
			;{{TAGO\|ELPH_ISMEAR\|-15}}
			:Tetrahedron method at finite temperature with Blöchl corrections

			==Related tags and articles==
			{{TAG \| ISMEAR}},
			{{TAG \| ELPH_FERMI_NEDOS}},
			{{TAG \| ELPH_SELFEN_MU}},
			{{FILE \| KPOINTS_ELPH}}

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

Mani: Remove elph release banner

2024-12-18T14:27:53Z

Remove elph release banner

← Older revision		Revision as of 14:27, 18 December 2024
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	~~{{elph_release}}~~
	{{DISPLAYTITLE:ELPH_ISMEAR}}		{{DISPLAYTITLE:ELPH_ISMEAR}}
	{{TAGDEF\|ELPH_ISMEAR\|[integer]\|{{TAG\|ISMEAR}}}}		{{TAGDEF\|ELPH_ISMEAR\|[integer]\|{{TAG\|ISMEAR}}}}

← Older revision		Revision as of 08:07, 24 October 2025
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	== Tag options ==		== Tag options ==
	;{{~~TAGO~~\|ELPH_ISMEAR\|1\|op=>}}		;{{TAG\|ELPH_ISMEAR\|1\|op=>}}
	:Method of Methfessel-Paxton of order {{TAG\|ELPH_ISMEAR}} (for details see {{TAG\|ISMEAR}})		:Method of Methfessel-Paxton of order {{TAG\|ELPH_ISMEAR}} (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|0}}		;{{TAG\|ELPH_ISMEAR\|0}}
	:Gaussian smearing (for details see {{TAG\|ISMEAR}})		:Gaussian smearing (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|-1}}		;{{TAG\|ELPH_ISMEAR\|-1}}
	:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})		:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|-4}}		;{{TAG\|ELPH_ISMEAR\|-4}}
	:Tetrahedron method (zero temperature) (for details see {{TAG\|ISMEAR}})		:Tetrahedron method (zero temperature) (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|-5}}		;{{TAG\|ELPH_ISMEAR\|-5}}
	:Tetrahedron method (zero temperature) with Blöchl corrections (for details see {{TAG\|ISMEAR}})		:Tetrahedron method (zero temperature) with Blöchl corrections (for details see {{TAG\|ISMEAR}})
	;{{~~TAGO~~\|ELPH_ISMEAR\|-14}}		;{{TAG\|ELPH_ISMEAR\|-14}}
	:Tetrahedron method (finite temperature)		:Tetrahedron method (finite temperature)
	;{{~~TAGO~~\|ELPH_ISMEAR\|-15}}		;{{TAG\|ELPH_ISMEAR\|-15}}
	:Tetrahedron method (finite temperature) with Blöchl corrections		:Tetrahedron method (finite temperature) with Blöchl corrections
	;{{~~TAGO~~\|ELPH_ISMEAR\|-24}}		;{{TAG\|ELPH_ISMEAR\|-24}}
	:Tetrahedron method (finite temperature) - memory and time efficient		:Tetrahedron method (finite temperature) - memory and time efficient

← Older revision		Revision as of 12:31, 19 December 2024
Line 21:		Line 21:
	:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})		:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})
	;{{TAGO\|ELPH_ISMEAR\|-4}}		;{{TAGO\|ELPH_ISMEAR\|-4}}
	:Tetrahedron method at zero temperature (for details see {{TAG\|ISMEAR}})		:Tetrahedron method (zero temperature) (for details see {{TAG\|ISMEAR}})
	;{{TAGO\|ELPH_ISMEAR\|-5}}		;{{TAGO\|ELPH_ISMEAR\|-5}}
	:Tetrahedron method at zero temperature with Blöchl corrections (for details see {{TAG\|ISMEAR}})		:Tetrahedron method (zero temperature) with Blöchl corrections (for details see {{TAG\|ISMEAR}})
	;{{TAGO\|ELPH_ISMEAR\|-14}}		;{{TAGO\|ELPH_ISMEAR\|-14}}
	:Tetrahedron method at finite temperature		:Tetrahedron method (finite temperature)
	;{{TAGO\|ELPH_ISMEAR\|-15}}		;{{TAGO\|ELPH_ISMEAR\|-15}}
	:Tetrahedron method at finite temperature with Blöchl corrections		:Tetrahedron method (finite temperature) with Blöchl corrections

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

← Older revision		Revision as of 11:19, 19 December 2024
Line 1:		Line 1:
	{{DISPLAYTITLE:ELPH_ISMEAR}}		{{DISPLAYTITLE:ELPH_ISMEAR}}
	{{TAGDEF\|ELPH_ISMEAR\|[integer]\|~~{{TAG\|ISMEAR}}~~}}		{{TAGDEF\|ELPH_ISMEAR\|[integer]\|0}}

	Description: ~~Choose~~ the smearing method to determine the fermi level and chemical potential before an electron-phonon calculation.		Description: Chooses the smearing method to determine the fermi level and chemical potential before an electron-phonon calculation.

	----		----

	~~The possible values and their meaning are documented in~~ {{TAG\|ISMEAR}}.		{{TAG\|ELPH_ISMEAR}} is very similar to {{TAG\|ISMEAR}}.
	The difference ~~between~~ {{TAG\|~~ISMEAR~~}} ~~and this tag~~ is ~~that this tag refers~~ to ~~the step where~~ the chemical potential ~~is determined for~~ the Kohn-Sham states ~~on a~~ <b>k</b> ~~points~~ grid specified by {{FILE\|KPOINTS_ELPH}}.		The difference is that {{TAG\|ELPH_ISMEAR}} is used to determine the chemical potential in the context of electron-phonon calculation.
			The Kohn-Sham states for which to calculate the chemical potential correspond to the <b>k</b>-point grid specified via the {{FILE\|KPOINTS_ELPH}} file.

	The chemical potential is determined for the list of temperatures {{TAG\|ELPH_SELFEN_TEMPS}} and carrier concentrations specified by		The chemical potential is determined for the list of temperatures {{TAG\|ELPH_SELFEN_TEMPS}} and carrier concentrations specified by
	{{TAG\|ELPH_SELFEN_CARRIER_DEN}} or {{TAG\|ELPH_SELFEN_CARRIER_PER_CELL}}. Alternatively, one can specify the chemical potential and determine the carrier concentration using {{TAG\|ELPH_SELFEN_MU}}.		{{TAG\|ELPH_SELFEN_CARRIER_DEN}} or {{TAG\|ELPH_SELFEN_CARRIER_PER_CELL}}. Alternatively, one can specify the chemical potential and determine the carrier concentration using {{TAG\|ELPH_SELFEN_MU}}.

			== Tag options ==
			;{{TAGO\|ELPH_ISMEAR\|1\|op=>}}
			:Method of Methfessel-Paxton of order {{TAG\|ELPH_ISMEAR}} (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|0}}
			:Gaussian smearing (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|-1}}
			:Fermi-Dirac smearing (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|-4}}
			:Tetrahedron method at zero temperature (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|-5}}
			:Tetrahedron method at zero temperature with Blöchl corrections (for details see {{TAG\|ISMEAR}})
			;{{TAGO\|ELPH_ISMEAR\|-14}}
			:Tetrahedron method at finite temperature
			;{{TAGO\|ELPH_ISMEAR\|-15}}
			:Tetrahedron method at finite temperature with Blöchl corrections

			==Related tags and articles==
			{{TAG \| ISMEAR}},
			{{TAG \| ELPH_FERMI_NEDOS}},
			{{TAG \| ELPH_SELFEN_MU}},
			{{FILE \| KPOINTS_ELPH}}

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