effmass
The facts below are what the maker publishes about effmass, checked and dated. Our editors have not written about it yet.
The facts
Each one read from effmass's own pages, with the date it was checked.
What it does
- Band extrema
- It can locate valence band maxima and conduction band minima, including extrema within an energy range.checked 5 Oct 2026
- Bandstructure analysis
- It locates valence band maxima and conduction band minima, including extrema within a specified energy range.checked 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.checked 5 Oct 2026
- Distribution
- The package can be installed with pip or from its GitHub repository; the repository describes the GitHub version as unstable.checked 12 Oct 2026
- Effective mass calculations
- It calculates curvature, transport and optical effective masses, including optical mass under a Kane dispersion assumption.checked 5 Oct 2026
- Effective masses
- It calculates curvature, transport, and optical effective masses, with optical mass calculated assuming a Kane dispersion.checked 12 Oct 2026
- Installation
- The maker's repository documents installation with pip or in a conda environment and also describes installing from GitHub.checked 5 Oct 2026
- Integration dependency
- The package uses vasppy to parse VASP output and ASE to parse Castep output.checked 5 Oct 2026
- Intended users
- The package is aimed at theoretical solid-state physicists and chemists with basic familiarity with Python.checked 12 Oct 2026
- Interface
- The command-line interface provides basic parabolic effective-mass calculations, while the Python API provides access to non-parabolic definitions.checked 12 Oct 2026
- License
- PyPI lists the package under the MIT License.checked 12 Oct 2026
- Non-parabolicity
- It calculates Kane dispersion parameters to assess non-parabolicity over an energy range.checked 12 Oct 2026
- Plots
- It can plot selected bandstructure segments and quadratic, Kane or higher-order dispersion approximations.checked 5 Oct 2026
- Purpose
- effmass is a Python package for calculating effective mass from the electronic bandstructure of a semiconductor.checked 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.checked 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.checked 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.checked 12 Oct 2026
- Support
- The project asks users to use its GitHub issue tracker for questions, feature requests, and bug reports.checked 12 Oct 2026
- Supported codes
- The documentation lists VASP, FHI-Aims, Castep, and ASE as supported codes.checked 12 Oct 2026
- Visualization
- It plots selected bandstructure segments and Kane, quadratic, or higher-order approximations to the dispersion.checked 12 Oct 2026
Money
- Free plan
- Yeschecked 23 Sep 2026
The company
- Maker and authorship
- The documentation names Lucy Whalley as the author and identifies Northumbria University in the contact email address.checked 5 Oct 2026
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