ELPH FERMI NEDOS - Revision history

Huebsch at 10:07, 19 November 2025

2025-11-19T10:07:12Z

← Older revision		Revision as of 10:07, 19 November 2025
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	* [[Transport coefficients including electron-phonon scattering]]		* [[Transport coefficients including electron-phonon scattering]]
	* [[Smearing technique]]		* [[Smearing technique]]
	[[Category:INCAR tag]][[Category:~~Electron–phonon coupling~~]][[Category:Electronic occupancy]]		[[Category:INCAR tag]][[Category:Electron-phonon interactions]][[Category:Electronic occupancy]]

Csheldon: Csheldon moved page Construction:ELPH FERMI NEDOS to ELPH FERMI NEDOS

2025-10-24T14:57:07Z

Csheldon moved page Construction:ELPH FERMI NEDOS to ELPH FERMI NEDOS

← Older revision	Revision as of 14:57, 24 October 2025
(No difference)

Csheldon: /* Related tags and articles */

2025-10-24T14:56:22Z

Miranda.henrique: Created page with "{{DISPLAYTITLE:ELPH_FERMI_NEDOS}} {{TAGDEF|ELPH_FERMI_NEDOS|[integer]|501}} Description: Number of Gauss–Legendre integration points used to evaluate the Fermi–Dirac distribution and determine the electronic Fermi level at finite temperature in the context of electron–phonon (el–ph) coupling calculations. {{Available|6.5.0}} ---- '''ELPH_FERMI_NEDOS''' plays the same role as EFERMI_NEDOS, but specifically in the context of electron-phonon coupling calcul..."

2025-10-24T13:19:24Z

Created page with "{{DISPLAYTITLE:ELPH_FERMI_NEDOS}} {{TAGDEF|ELPH_FERMI_NEDOS|[integer]|501}} Description: Number of Gauss–Legendre integration points used to evaluate the Fermi–Dirac distribution and determine the electronic Fermi level at finite temperature in the context of electron–phonon (el–ph) coupling calculations. {{Available|6.5.0}} ---- '''ELPH_FERMI_NEDOS''' plays the same role as EFERMI_NEDOS, but specifically in the context of electron-phonon coupling calcul..."

New page

{{DISPLAYTITLE:ELPH_FERMI_NEDOS}}
{{TAGDEF|ELPH_FERMI_NEDOS|[integer]|501}}

Description: Number of Gauss–Legendre integration points used to evaluate the Fermi–Dirac distribution and determine the electronic Fermi level at finite temperature in the context of electron–phonon (el–ph) coupling calculations.
{{Available|6.5.0}}

----

'''ELPH_FERMI_NEDOS''' plays the same role as [[EFERMI_NEDOS]], but specifically in the context of electron-phonon coupling calculations.
It defines the number of points in the Gauss–Legendre grid used when integrating the Fermi–Dirac distribution to determine the Fermi level within the el–ph workflow.

Larger values yield more accurate Fermi–Dirac occupations and energy derivatives, particularly at low temperatures or when evaluating sharp features in the electronic density of states near the Fermi energy.
A short convergence test is recommended for systems with narrow bands or strong temperature dependence in el–ph properties.

For details of the numerical integration scheme, see [[EFERMI_NEDOS]].

==Related tags and articles==
* {{TAG|EFERMI_NEDOS}}
* {{TAG|ISMEAR}}
* [[Transport coefficients including electron-phonon scattering]]
* [[Smearing technique]]

← Older revision		Revision as of 14:56, 24 October 2025
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	==Related tags and articles==		==Related tags and articles==
	* {{TAG\|EFERMI_NEDOS}}		* {{TAG\|EFERMI_NEDOS}}
			* {{TAG\|TRANSPORT_NEDOS}}
	* {{TAG\|ISMEAR}}		* {{TAG\|ISMEAR}}
	* [[Transport coefficients including electron-phonon scattering]]		* [[Transport coefficients including electron-phonon scattering]]
	* [[Smearing technique]]		* [[Smearing technique]]
	~~<!--~~[[Category:INCAR tag]][[Category:Electron–phonon coupling]][[Category:Electronic occupancy]]~~-->~~		[[Category:INCAR tag]][[Category:Electron–phonon coupling]][[Category:Electronic occupancy]]