ELPH SELFEN MU RANGE: Difference between revisions
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A set of different chemical potentials can be set as a shift with respect to the Fermi level <math>E_F</math> as alternative to {{TAG|ELPH_SELFEN_MU}}. | A set of different chemical potentials can be set using {{TAG|ELPH_SELFEN_MU_RANGE}} 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 {{TAGO|ELPH_SELFEN_MU_RANGE|l u n}}, where: | A range of chemical potentials can be defined using {{TAGO|ELPH_SELFEN_MU_RANGE|l u n}}, where: | ||
Revision as of 09:53, 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 |
A set of different chemical potentials can be set using ELPH_SELFEN_MU_RANGE 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].