ELPH SELFEN CARRIER DEN RANGE: Difference between revisions
(Created page with "{{DISPLAYTITLE:ELPH_SELFEN_MU_RANGE}} {{TAGDEF|ELPH_SELFEN_MU_RANGE|[real array]}} Description: The range of chemical potentials at which to compute the phonon-mediated electron self-energy and transport coefficients. {{Available|6.5.0}} ---- The chemical potential can be set as a shift with respect to the Fermi level as alternative to {{TAG|ELPH_SELFEN_MU}}. A range of chemical potentials can be defined using {{TAG|ELPH_SELFEN_MU_RANGE}} = A B C , where: * A is the...") |
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{{DISPLAYTITLE: | {{DISPLAYTITLE:ELPH_SELFEN_CARRIER_DEN_RANGE}} | ||
{{TAGDEF| | {{TAGDEF|ELPH_SELFEN_CARRIER_DEN_RANGE|[real array]}} | ||
Description: | Description: List of the range of carrier density (in <math>cm^{-3}</math>) at which to compute the phonon-mediated electron self-energy and transport coefficients. | ||
{{Available|6.5.0}} | {{Available|6.5.0}} | ||
---- | ---- | ||
The chemical potential can be set as a shift with respect to the Fermi level as alternative to {{TAG|ELPH_SELFEN_MU}}. | The chemical potential can be set as a shift with respect to the Fermi level <math>E_F</math> as alternative to {{TAG|ELPH_SELFEN_MU}}. | ||
A range of chemical potentials can be defined using {{ | A range of chemical potentials can be defined using {{TAGO|ELPH_SELFEN_MU_RANGE|l u n}}, where: | ||
* | * ''l'' is the lower limit of the chemical potential range. | ||
* | * ''u'' is the upper limit of the chemical potential range. | ||
* | * ''n'' is the number of steps to take between the two. | ||
<!--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 + add in the list of mu in the OUTCAR?--> | ||
For example, {{TAGO|ELPH_SELFEN_MU_RANGE|-1.0 1.0 101}} 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== | ==Related tags and articles== | ||
* [[Transport coefficients including electron-phonon scattering|Transport calculations]] | * [[Transport coefficients including electron-phonon scattering|Transport calculations]] | ||
Revision as of 09:08, 15 October 2025
ELPH_SELFEN_CARRIER_DEN_RANGE = [real array]
Description: List of the range of carrier density (in [math]\displaystyle{ cm^{-3} }[/math]) at which to compute the phonon-mediated electron self-energy and transport coefficients.
| Mind: Available as of VASP 6.5.0 |
The chemical potential can be set as a shift with respect to the Fermi level [math]\displaystyle{ E_F }[/math] as alternative to ELPH_SELFEN_MU.
A range of chemical potentials can be defined using ELPH_SELFEN_MU_RANGE = l u n, where:
- l is the lower limit of the chemical potential range.
- u is the upper limit of the chemical potential range.
- n is the number of steps to take between the two.
For example, ELPH_SELFEN_MU_RANGE = -1.0 1.0 101 would create a list of 101 points around the Fermi level between [math]\displaystyle{ E_F - 1.0 }[/math] and [math]\displaystyle{ E_F + 1.0 }[/math].