ELPH SELFEN MU RANGE: Difference between revisions
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{{TAGDEF|ELPH_SELFEN_MU_RANGE|[real array]}} | {{TAGDEF|ELPH_SELFEN_MU_RANGE|[real array]}} | ||
Description: List of the range of chemical potentials at which to compute the phonon-mediated electron self-energy and transport coefficients. | Description: List of the range of chemical potentials (in eV) at which to compute the phonon-mediated electron self-energy and transport coefficients. | ||
{{Available|6.5.0}} | {{Available|6.5.0}} | ||
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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 {{TAG|ELPH_SELFEN_MU_RANGE}} = A B C , where: | A range of chemical potentials can be defined using {{TAG|ELPH_SELFEN_MU_RANGE}} = A B C , where: | ||
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* C is the number of steps to take between the two. | * C 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--> | ||
For example, {{TAG|ELPH_SELFEN_MU_RANGE}} = -1.0 1.0 101 would create a list of 101 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 09:02, 15 October 2025
ELPH_SELFEN_MU_RANGE = [real array]
Description: List of the range of chemical potentials (in eV) 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 = A B C , where:
- A is the lower limit of the chemical potential range.
- B is the upper limit of the chemical potential range.
- C 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].