ELPH SELFEN TEMPS RANGE - Revision history

Singraber at 08:12, 24 October 2025

2025-10-24T08:12:42Z

← Older revision		Revision as of 08:12, 24 October 2025
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	This list of temperatures is used to determine the chemical potential, the occupation factors entering the electron self-energy due to electron-phonon coupling as well as the transport coefficients in the context of a [[Transport_coefficients_including_electron-phonon_scattering\|transport calculation]].		This list of temperatures is used to determine the chemical potential, the occupation factors entering the electron self-energy due to electron-phonon coupling as well as the transport coefficients in the context of a [[Transport_coefficients_including_electron-phonon_scattering\|transport calculation]].

	A range of temperatures can be defined using {{~~TAGO~~\|ELPH_SELFEN_TEMPS_RANGE\|l u n}}, where:		A range of temperatures can be defined using {{TAG\|ELPH_SELFEN_TEMPS_RANGE\|l u n}}, where:
	* ''l'' is the lower limit of the temperature range.		* ''l'' is the lower limit of the temperature range.
	* ''u'' is the upper limit of the temperature range.		* ''u'' is the upper limit of the temperature range.
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	<!--This can be useful for producing contour plots, e.g., of the ZT figure of merit link to elph-part5 tutorial-->		<!--This can be useful for producing contour plots, e.g., of the ZT figure of merit link to elph-part5 tutorial-->

	For example, {{~~TAGO~~\|ELPH_SELFEN_TEMPS_RANGE\|0 700 41}} would create a list of <b>41</b> points from 0 K to 700 K. This is printed in the {{FILE\|OUTCAR}} file:		For example, {{TAG\|ELPH_SELFEN_TEMPS_RANGE\|0 700 41}} would create a list of <b>41</b> points from 0 K to 700 K. This is printed in the {{FILE\|OUTCAR}} file:

	elph_selfen_temps=		elph_selfen_temps=

Csheldon: /* Related tags and articles */

2025-10-21T10:37:05Z

Csheldon at 08:48, 20 October 2025

2025-10-20T08:48:37Z

← Older revision		Revision as of 08:48, 20 October 2025
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	* [[Transport coefficients including electron-phonon scattering\|Transport calculations]]		* [[Transport coefficients including electron-phonon scattering\|Transport calculations]]
	* [[Electron-phonon accumulators]]		* [[Electron-phonon accumulators]]
			* [[Chemical potential]]
	* {{TAG\|ELPH_RUN}}		* {{TAG\|ELPH_RUN}}
	* {{TAG\|ELPH_SELFEN_MU}}		* {{TAG\|ELPH_SELFEN_MU}}

Csheldon: /* Related tags and articles */

2025-10-17T14:26:57Z

Csheldon at 14:31, 15 October 2025

2025-10-15T14:31:38Z

← Older revision		Revision as of 14:31, 15 October 2025
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	700.000		700.000

	At each temperature an electron-phonon calculation is performed.		At each temperature an electron-phonon calculation is performed, rather than defining it manually using {{TAG\|ELPH_SELFEN_TEMPS}}.

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

Csheldon at 14:31, 15 October 2025

2025-10-15T14:31:18Z

← Older revision		Revision as of 14:31, 15 October 2025
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	* ''u'' is the upper limit of the temperature range.		* ''u'' is the upper limit of the temperature range.
	* ''n'' is the number of steps between the two limits.		* ''n'' is the number of steps between the two limits.
	<!--This can be useful for producing contour plots, e.g., of the ZT figure of merit link to elph-part5 tutorial ~~+ add in the list of mu in the OUTCAR?~~-->		<!--This can be useful for producing contour plots, e.g., of the ZT figure of merit link to elph-part5 tutorial-->

	For example, {{TAGO\|ELPH_SELFEN_TEMPS_RANGE\|0 700 41}} would create a list of <b>41</b> points from 0 K to 700 K:		For example, {{TAGO\|ELPH_SELFEN_TEMPS_RANGE\|0 700 41}} would create a list of <b>41</b> points from 0 K to 700 K. This is printed in the {{FILE\|OUTCAR}} file:

	elph_selfen_temps=		elph_selfen_temps=
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	700.000		700.000

	~~which~~ is ~~printed in the {{FILE\|OUTCAR}} file~~.		At each temperature an electron-phonon calculation is performed.

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

Csheldon: Csheldon moved page Construction:ELPH SELFEN TEMPS RANGE to ELPH SELFEN TEMPS RANGE

2025-10-15T14:30:01Z

Csheldon moved page Construction:ELPH SELFEN TEMPS RANGE to ELPH SELFEN TEMPS RANGE

← Older revision	Revision as of 14:30, 15 October 2025
(No difference)

Csheldon at 14:29, 15 October 2025

2025-10-15T14:29:46Z

← Older revision		Revision as of 14:29, 15 October 2025
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	<!--This can be useful for producing contour plots, e.g., of the ZT figure of merit link to elph-part5 tutorial + add in the list of mu in the OUTCAR?-->		<!--This can be useful for producing contour plots, e.g., of the ZT figure of merit link to elph-part5 tutorial + add in the list of mu in the OUTCAR?-->

	For example, {{TAGO\|ELPH_SELFEN_TEMPS_RANGE\|0 700 41}} would create a list of <b>~~101~~</b> points ~~around the Fermi level between <math>E_F - 1~~.~~0</math> and <math>E_F + 1~~.~~0</math>~~.		For example, {{TAGO\|ELPH_SELFEN_TEMPS_RANGE\|0 700 41}} would create a list of <b>41</b> points from 0 K to 700 K:

			elph_selfen_temps=
			0.000
			17.500
			35.000
			...
			665.000
			682.500
			700.000

			which is printed in the {{FILE\|OUTCAR}} file.

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

Csheldon: /* Related tags and articles */

2025-10-15T13:37:42Z

Csheldon at 10:11, 15 October 2025

2025-10-15T10:11:24Z

@@ Line 14: / Line 14: @@
 <!--This can be useful for producing contour plots, e.g., of the ZT figure of merit link to elph-part5 tutorial + add in the list of mu in the OUTCAR?-->
-The chemical potential can be set as a shift with respect to the Fermi level as alternative to {{TAG|ELPH_SELFEN_MU}}.
+For example, {{TAGO|ELPH_SELFEN_TEMPS_RANGE|0 700 41}} would create a list of <b>101</b> points around the Fermi level between <math>E_F - 1.0</math> and <math>E_F + 1.0</math>.
 ==Related tags and articles==

← Older revision		Revision as of 10:37, 21 October 2025
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	* [[Transport coefficients including electron-phonon scattering\|Transport calculations]]		* [[Transport coefficients including electron-phonon scattering\|Transport calculations]]
	* [[Electron-phonon accumulators]]		* [[Electron-phonon accumulators]]
	* [[Chemical potential]]		* [[Chemical potential in electron-phonon interactions]]
	* {{TAG\|ELPH_RUN}}		* {{TAG\|ELPH_RUN}}
	* {{TAG\|ELPH_SELFEN_MU}}		* {{TAG\|ELPH_SELFEN_MU}}

← Older revision		Revision as of 14:26, 17 October 2025
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	* {{TAG\|ELPH_SELFEN_MU_RANGE}}		* {{TAG\|ELPH_SELFEN_MU_RANGE}}
	* {{TAG\|ELPH_SELFEN_CARRIER_DEN}}		* {{TAG\|ELPH_SELFEN_CARRIER_DEN}}
			* {{TAG\|ELPH_SELFEN_CARRIER_DEN_RANGE}}
	* {{TAG\|ELPH_SELFEN_CARRIER_PER_CELL}}		* {{TAG\|ELPH_SELFEN_CARRIER_PER_CELL}}
	* {{TAG\|ELPH_SELFEN_TEMPS}}		* {{TAG\|ELPH_SELFEN_TEMPS}}

← Older revision		Revision as of 13:37, 15 October 2025
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	* {{TAG\|ELPH_SELFEN_MU_RANGE}}		* {{TAG\|ELPH_SELFEN_MU_RANGE}}
	* {{TAG\|ELPH_SELFEN_CARRIER_DEN}}		* {{TAG\|ELPH_SELFEN_CARRIER_DEN}}
	* {{TAG\|ELPH_SELFEN_CARRIER_DEN_RANGE}}
	* {{TAG\|ELPH_SELFEN_CARRIER_PER_CELL}}		* {{TAG\|ELPH_SELFEN_CARRIER_PER_CELL}}
	* {{TAG\|ELPH_SELFEN_TEMPS}}		* {{TAG\|ELPH_SELFEN_TEMPS}}