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On the recordRead 12 Oct 202622 facts
effmass
On the record
- Band extrema
- It can locate valence band maxima and conduction band minima, including extrema within an energy range.effmass.readthedocs.io · read 5 Oct 2026
- Bandstructure analysis
- It locates valence band maxima and conduction band minima, including extrema within a specified energy range.effmass.readthedocs.io · read 12 Oct 2026
- Command line and API
- The command line interface provides basic parabolic effective mass calculations, while the Python API provides access to non-parabolic definitions.effmass.readthedocs.io · read 5 Oct 2026
- Distribution
- The package can be installed with pip or from its GitHub repository; the repository describes the GitHub version as unstable.github.com · read 12 Oct 2026
- Effective mass calculations
- It calculates curvature, transport and optical effective masses, including optical mass under a Kane dispersion assumption.effmass.readthedocs.io · read 5 Oct 2026
- Effective masses
- It calculates curvature, transport, and optical effective masses, with optical mass calculated assuming a Kane dispersion.effmass.readthedocs.io · read 12 Oct 2026
- Installation
- The maker's repository documents installation with pip or in a conda environment and also describes installing from GitHub.github.com · read 5 Oct 2026
- Integration dependency
- The package uses vasppy to parse VASP output and ASE to parse Castep output.effmass.readthedocs.io · read 5 Oct 2026
- Intended users
- The package is aimed at theoretical solid-state physicists and chemists with basic familiarity with Python.effmass.readthedocs.io · read 12 Oct 2026
- Interface
- The command-line interface provides basic parabolic effective-mass calculations, while the Python API provides access to non-parabolic definitions.effmass.readthedocs.io · read 12 Oct 2026
- License
- PyPI lists the package under the MIT License.pypi.org · read 12 Oct 2026
- Maker and authorship
- The documentation names Lucy Whalley as the author and identifies Northumbria University in the contact email address.effmass.readthedocs.io · read 5 Oct 2026
- Non-parabolicity
- It calculates Kane dispersion parameters to assess non-parabolicity over an energy range.effmass.readthedocs.io · read 12 Oct 2026
- Plots
- It can plot selected bandstructure segments and quadratic, Kane or higher-order dispersion approximations.effmass.readthedocs.io · read 5 Oct 2026
- Purpose
- effmass is a Python package for calculating effective mass from the electronic bandstructure of a semiconductor.effmass.readthedocs.io · read 12 Oct 2026
- Quasi-Fermi estimate
- It estimates the quasi-Fermi level from density-of-states data without thermal smearing; this feature supports VASP and requires DOSCAR.effmass.readthedocs.io · read 5 Oct 2026
- Quasi-Fermi level
- It estimates the quasi-Fermi level for a given carrier concentration from density-of-states data without thermal smearing; this feature requires VASP and its DOSCAR output file.effmass.readthedocs.io · read 12 Oct 2026
- Research citation
- The documentation asks users to cite Lucy Whalley's 2018 Journal of Open Source Software paper when using the code in research.effmass.readthedocs.io · read 12 Oct 2026
