ELPH SELFEN BAND START KP - Revision history

Miranda.henrique at 14:01, 10 July 2026

2026-07-10T14:01:37Z

← Older revision		Revision as of 14:01, 10 July 2026
Line 3:		Line 3:

	Description: Index of the first <math>k'</math> band included in the electron self-energy sum; -1 uses all bands, and -2 activates automatic determination based on energy conservation.		Description: Index of the first <math>k'</math> band included in the electron self-energy sum; -1 uses all bands, and -2 activates automatic determination based on energy conservation.
	{{Available\|6.5.1}}		{{Available\|6.6.0}}

	----		----

Csheldon at 13:59, 10 July 2026

2026-07-10T13:59:06Z

← Older revision		Revision as of 13:59, 10 July 2026
Line 26:		Line 26:
	* {{TAG\|ELPH_NBANDS}}		* {{TAG\|ELPH_NBANDS}}
	* {{TAG\|ELPH_RUN}}		* {{TAG\|ELPH_RUN}}

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

Csheldon: Csheldon moved page Construction:ELPH SELFEN BAND START KP to ELPH SELFEN BAND START KP

2026-07-10T13:58:32Z

Csheldon moved page Construction:ELPH SELFEN BAND START KP to ELPH SELFEN BAND START KP

← Older revision		Revision as of 13:58, 10 July 2026
(No difference)

Csheldon at 13:58, 10 July 2026

2026-07-10T13:58:28Z

← Older revision		Revision as of 13:58, 10 July 2026
Line 2:		Line 2:
	{{TAGDEF\|ELPH_SELFEN_BAND_START_KP\|[integer]\|-1}}		{{TAGDEF\|ELPH_SELFEN_BAND_START_KP\|[integer]\|-1}}

	Description: Index of the first k' band included in the electron self-energy sum; -1 uses all bands, and -2 activates automatic determination based on energy conservation.		Description: Index of the first <math>k'</math> band included in the electron self-energy sum; -1 uses all bands, and -2 activates automatic determination based on energy conservation.
	{{Available\|6.5.1}}		{{Available\|6.5.1}}

	----		----
	The Fan-Migdal self-energy involves a sum over intermediate scattering states at k' = k + q:		The Fan-Migdal self-energy involves a sum over intermediate scattering states at <math>k' = k + q</math>:

	:<math>\Sigma^{\text{FM}}_{n\mathbf{k}}(T) = \frac{1}{N_q}\sum_{m\nu\mathbf{q}} \|g_{mn\mathbf{k},\nu\mathbf{q}}\|^2 \left[\frac{\cdots}{\varepsilon_{n\mathbf{k}} - \varepsilon_{m\mathbf{k}+\mathbf{q}} \pm \omega_{\nu\mathbf{q}} + i\delta}\right]</math>		:<math>\Sigma^{\text{FM}}_{n\mathbf{k}}(T) = \frac{1}{N_q}\sum_{m\nu\mathbf{q}} \|g_{mn\mathbf{k},\nu\mathbf{q}}\|^2 \left[\frac{\cdots}{\varepsilon_{n\mathbf{k}} - \varepsilon_{m\mathbf{k}+\mathbf{q}} \pm \omega_{\nu\mathbf{q}} + i\delta}\right]</math>

	{{TAG\|ELPH_SELFEN_BAND_START_KP}} and {{TAG\|ELPH_SELFEN_BAND_STOP_KP}} control the range of band indices m (at k') included in this sum.		{{TAG\|ELPH_SELFEN_BAND_START_KP}} and {{TAG\|ELPH_SELFEN_BAND_STOP_KP}} control the range of band indices <math>m</math> (at <math>k'</math>) included in this sum.
	This is distinct from {{TAG\|ELPH_SELFEN_BAND_START}} and {{TAG\|ELPH_SELFEN_BAND_STOP}}, which select the bands n at k for which the self-energy is computed.		This is distinct from {{TAG\|ELPH_SELFEN_BAND_START}} and {{TAG\|ELPH_SELFEN_BAND_STOP}}, which select the bands <math>n</math> at <math>k</math> for which the self-energy is computed.

	The following values are accepted:		The following values are accepted:

	* <code>-1</code> (default): include all bands from 1 to {{TAG\|ELPH_NBANDS}}.		* <code>-1</code> (default): include all bands from 1 to {{TAG\|ELPH_NBANDS}}.
	* <code>-2</code>: determine the range automatically from energy conservation. Only k' bands whose eigenvalues fall within ±ω<sub>max</sub> of the target k bands are included, where ω<sub>max</sub> is the maximum phonon energy. This can significantly reduce the cost when {{TAG\|ELPH_NBANDS}} is large.		* <code>-2</code>: determine the range automatically from energy conservation. Only <math>k'</math> bands whose eigenvalues fall within ±ω<sub>max</sub> of the target <math>k</math> bands are included, where ω<sub>max</sub> is the maximum phonon energy. This can significantly reduce the cost when {{TAG\|ELPH_NBANDS}} is large.
	* Positive integer: use the specified band index as the lower bound.		* Positive integer: use the specified band index as the lower bound.

Miranda.henrique at 14:25, 18 June 2026

2026-06-18T14:25:19Z

← Older revision		Revision as of 14:25, 18 June 2026
Line 26:		Line 26:
	* {{TAG\|ELPH_NBANDS}}		* {{TAG\|ELPH_NBANDS}}
	* {{TAG\|ELPH_RUN}}		* {{TAG\|ELPH_RUN}}

	~~<!--[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]-->~~

Miranda.henrique at 13:38, 18 June 2026

2026-06-18T13:38:54Z

← Older revision		Revision as of 13:38, 18 June 2026
Line 27:		Line 27:
	* {{TAG\|ELPH_RUN}}		* {{TAG\|ELPH_RUN}}

	[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]		<!--[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]-->

Miranda.henrique: Add ELPH_SELFEN_BAND_START_KP tag documentation

2026-06-12T11:59:58Z

Add ELPH_SELFEN_BAND_START_KP tag documentation

← Older revision	Revision as of 11:59, 12 June 2026
Line 1:	Line 1:
		{{DISPLAYTITLE:ELPH_SELFEN_BAND_START_KP}}
		{{TAGDEF\|ELPH_SELFEN_BAND_START_KP\|[integer]\|-1}}

		Description: Index of the first k' band included in the electron self-energy sum; -1 uses all bands, and -2 activates automatic determination based on energy conservation.
		{{Available\|6.5.1}}

		----
		The Fan-Migdal self-energy involves a sum over intermediate scattering states at k' = k + q:

		:<math>\Sigma^{\text{FM}}_{n\mathbf{k}}(T) = \frac{1}{N_q}\sum_{m\nu\mathbf{q}} \|g_{mn\mathbf{k},\nu\mathbf{q}}\|^2 \left[\frac{\cdots}{\varepsilon_{n\mathbf{k}} - \varepsilon_{m\mathbf{k}+\mathbf{q}} \pm \omega_{\nu\mathbf{q}} + i\delta}\right]</math>

		{{TAG\|ELPH_SELFEN_BAND_START_KP}} and {{TAG\|ELPH_SELFEN_BAND_STOP_KP}} control the range of band indices m (at k') included in this sum.
		This is distinct from {{TAG\|ELPH_SELFEN_BAND_START}} and {{TAG\|ELPH_SELFEN_BAND_STOP}}, which select the bands n at k for which the self-energy is computed.

		The following values are accepted:

		* <code>-1</code> (default): include all bands from 1 to {{TAG\|ELPH_NBANDS}}.
		* <code>-2</code>: determine the range automatically from energy conservation. Only k' bands whose eigenvalues fall within ±ω<sub>max</sub> of the target k bands are included, where ω<sub>max</sub> is the maximum phonon energy. This can significantly reduce the cost when {{TAG\|ELPH_NBANDS}} is large.
		* Positive integer: use the specified band index as the lower bound.

		Setting both {{TAG\|ELPH_SELFEN_BAND_START_KP}} and {{TAG\|ELPH_SELFEN_BAND_STOP_KP}} to <code>-2</code> is recommended when a large number of bands is required for convergence but most of them lie far from the relevant energy window.

		==Related tags and articles==
		* {{TAG\|ELPH_SELFEN_BAND_STOP_KP}}
		* {{TAG\|ELPH_SELFEN_BAND_START}}
		* {{TAG\|ELPH_NBANDS}}
		* {{TAG\|ELPH_RUN}}

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

Miranda.henrique: Created blank page

2026-06-12T11:52:42Z

Created blank page

New page