KPOINTS ELPH - Revision history

Mani at 12:58, 22 January 2025

2025-01-22T12:58:29Z

← Older revision		Revision as of 12:58, 22 January 2025
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	Alternatively, it is possible to choose the k-point mesh by specifying {{TAG\|ELPH_KSPACING}} which determines the smallest allowed spacing between <b>k</b> points in units of <math>\AA^{-1}</math>.		Alternatively, it is possible to choose the k-point mesh by specifying {{TAG\|ELPH_KSPACING}} which determines the smallest allowed spacing between <b>k</b> points in units of <math>\AA^{-1}</math>.

	{{Available\|6.5.0}}		{{Available\|6.5.0}}

Mani: Add availability notice

2025-01-17T14:29:20Z

Add availability notice

← Older revision		Revision as of 14:29, 17 January 2025
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	Alternatively, it is possible to choose the k-point mesh by specifying {{TAG\|ELPH_KSPACING}} which determines the smallest allowed spacing between <b>k</b> points in units of <math>\AA^{-1}</math>.		Alternatively, it is possible to choose the k-point mesh by specifying {{TAG\|ELPH_KSPACING}} which determines the smallest allowed spacing between <b>k</b> points in units of <math>\AA^{-1}</math>.

			{{Available\|6.5.0}}

	== Related tags and sections ==		== Related tags and sections ==

Mani: /* Related tags and sections */

2024-12-19T16:27:26Z

Related tags and sections

← Older revision		Revision as of 16:27, 19 December 2024
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	* {{TAG\|ELPH_KSPACING}}		* {{TAG\|ELPH_KSPACING}}

	[[Category:Input ~~file~~]][[Category:Electron-phonon_interactions]]		[[Category:Input files]][[Category:Electron-phonon_interactions]]

Mani: Add categories

2024-12-19T16:27:18Z

Add categories

← Older revision		Revision as of 16:27, 19 December 2024
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	== Related tags and sections ==		== Related tags and sections ==
	{{TAG\|ELPH_RUN}}, {{FILE\|KPOINTS}}, {{TAG\|ELPH_KSPACING}}		* {{TAG\|ELPH_RUN}}
			* {{FILE\|KPOINTS}}
			* {{FILE\|KPOINTS_OPT}}
			* {{TAG\|ELPH_KSPACING}}

			[[Category:Input file]][[Category:Electron-phonon_interactions]]

Mani: Remove elph release banner

2024-12-18T14:23:40Z

Remove elph release banner

← Older revision		Revision as of 14:23, 18 December 2024
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	~~{{elph_release}}~~
	{{DISPLAYTITLE:KPOINTS_ELPH}}		{{DISPLAYTITLE:KPOINTS_ELPH}}
	{{FILE\|KPOINTS_ELPH}} is an optional input file to perform an additional one-shot calculation after self-consistency is reached in the context of an electron-phonon calculation. The format is the same as for the {{FILE\|KPOINTS}} file. VASP first performs a self-consistent calculation using the '''k''' points specified in the {{FILE\|KPOINTS}} file and then performs an additional one-shot calculation to obtain the Kohn–Sham orbitals and eigenenergies at the '''k''' points specified in the {{FILE\|KPOINTS_ELPH}} file.		{{FILE\|KPOINTS_ELPH}} is an optional input file to perform an additional one-shot calculation after self-consistency is reached in the context of an electron-phonon calculation. The format is the same as for the {{FILE\|KPOINTS}} file. VASP first performs a self-consistent calculation using the '''k''' points specified in the {{FILE\|KPOINTS}} file and then performs an additional one-shot calculation to obtain the Kohn–Sham orbitals and eigenenergies at the '''k''' points specified in the {{FILE\|KPOINTS_ELPH}} file.

Miranda.henrique: Created page with "{{elph_release}} {{DISPLAYTITLE:KPOINTS_ELPH}} {{FILE|KPOINTS_ELPH}} is an optional input file to perform an additional one-shot calculation after self-consistency is reached in the context of an electron-phonon calculation. The format is the same as for the {{FILE|KPOINTS}} file. VASP first performs a self-consistent calculation using the '''k''' points specified in the {{FILE|KPOINTS}} file and then performs an additional one-shot calculation to obtain the Kohn–S..."

2024-10-01T08:47:48Z

Created page with "{{elph_release}} {{DISPLAYTITLE:KPOINTS_ELPH}} {{FILE|KPOINTS_ELPH}} is an optional input file to perform an additional one-shot calculation after self-consistency is reached in the context of an electron-phonon calculation. The format is the same as for the {{FILE|KPOINTS}} file. VASP first performs a self-consistent calculation using the '''k''' points specified in the {{FILE|KPOINTS}} file and then performs an additional one-shot calculation to obtain the Kohn–S..."

New page

{{elph_release}}
{{DISPLAYTITLE:KPOINTS_ELPH}}
{{FILE|KPOINTS_ELPH}} is an optional input file to perform an additional one-shot calculation after self-consistency is reached in the context of an electron-phonon calculation. The format is the same as for the {{FILE|KPOINTS}} file. VASP first performs a self-consistent calculation using the '''k''' points specified in the {{FILE|KPOINTS}} file and then performs an additional one-shot calculation to obtain the Kohn–Sham orbitals and eigenenergies at the '''k''' points specified in the {{FILE|KPOINTS_ELPH}} file.

The {{FILE|KPOINTS}} file must contain a uniform '''k''' mesh, when the {{FILE|KPOINTS_ELPH}} file should be used afterward.

Alternatively, it is possible to choose the k-point mesh by specifying {{TAG|ELPH_KSPACING}} which determines the smallest allowed spacing between <b>k</b> points in units of <math>\AA^{-1}</math>.

== Related tags and sections ==
{{TAG|ELPH_RUN}}, {{FILE|KPOINTS}}, {{TAG|ELPH_KSPACING}}