ELPH SELFEN MU RANGE: Difference between revisions
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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}}. | |||
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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* B is the upper 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. | * 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--> | ||
==Related tags and articles== | ==Related tags and articles== | ||
Revision as of 08:55, 15 October 2025
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.
| Mind: Available as of VASP 6.5.0 |
The chemical potential can be set as a shift with respect to the Fermi level 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.