Python modules for electron-phonon models
elphmod is a collection of Python modules to handle coupled tight-binding and mass-spring models derived from first principles. It provides interfaces with popular simulation software such as Quantum ESPRESSO, Wannier90, EPW, RESPACK, and i-PI. It helps calculate dispersions, spectra, and response functions and can be used to build and study distorted structures on supercells.
el- tight-binding models from Wannier90ph- mass-spring models from Quantum ESPRESSOelph- electron-phonon coupling from EPWelel- Coulomb interaction from RESPACKMPI- work distribution and shared memorybravais- lattices, symmetries, and interpolationdispersion- diagonalization on paths and meshesdos- 2D tetrahedron methodsdiagrams- susceptibilities, self-energies, etc.occupations- step and delta smearing functionsmd- charge-density-wave dynamics using i-PIeliashberg- parameters for McMillan's formulaplot- BZ plots, fatbands, etc.misc- constants, status bars, parsing, etc.models- nearest-neighbor models for testing
Installation
You can install the latest version of elphmod from PyPI:
python3 -m pip install --upgrade elphmod
Or from the conda-forge channel on Anaconda Cloud:
conda install conda-forge::elphmod
elphmod can optionally be run in parallel via MPI (with shared-memory support). Using APT and pip, you can install the corresponding dependencies as follows:
sudo apt install libopenmpi-dev
python3 -m pip install mpi4py --no-binary=mpi4py
You can also download the complete repository, perform an editable installation, and install the requirements of examples and documentation:
git clone https://codeberg.org/janberges/elphmod
python3 -m pip install -e elphmod
python3 -m pip install -r elphmod/examples/requirements.txt
python3 -m pip install -r elphmod/doc/requirements.txt
Documentation
The documentation can be found at https://io.janberges.de/elphmod.
Please also have a look at the examples directory.
Reference
elphmod is stored on Zenodo: https://doi.org/10.5281/zenodo.5919991.
Licence
This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program. If not, see https://www.gnu.org/licenses/.
Copyright (C) 2017-2026 elphmod Developers
1 maintainer
Release files for elphmod 0.36
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
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| elphmod-0.36.tar.gz | 134.1 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| elphmod-0.36-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 280.7 kB
Release files / elphmod-0.36.tar.gz
| Download URL | elphmod-0.36.tar.gz |
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| Size | 134.1 kB |
| Tags | Source |
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| Size | 146.6 kB |
| Tags | Python 3 |
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