ELPH SELFEN MU RANGE: Difference between revisions
(Created page with "{{DISPLAYTITLE:ELPH_SELFEN_MU_RANGE}} {{TAGDEF|ELPH_SELFEN_MU|A B C|[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}} ---- A range of chemical potentials can be defined using {{TAG|ELPH_SELFEN_MU_RANGE}}, 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...") |
|||
| (17 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
{{DISPLAYTITLE:ELPH_SELFEN_MU_RANGE}} | {{DISPLAYTITLE:ELPH_SELFEN_MU_RANGE}} | ||
{{TAGDEF| | {{TAGDEF|ELPH_SELFEN_MU_RANGE|[real array]}} | ||
Description: | 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}} | ||
---- | ---- | ||
A range of chemical potentials can be defined using {{ | 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 an alternative to {{TAG|ELPH_SELFEN_MU}}. | ||
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 between the two limits. | ||
<!--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]] | ||
* [[Electron-phonon accumulators]] | * [[Electron-phonon accumulators]] | ||
* [[Chemical potential in electron-phonon interactions]] | |||
* {{TAG|ELPH_RUN}} | * {{TAG|ELPH_RUN}} | ||
* {{TAG|ELPH_SELFEN_MU}} | * {{TAG|ELPH_SELFEN_MU}} | ||
Latest revision as of 10:37, 21 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 an 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 between the two limits.
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].