Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
☆38Nov 2, 2021Updated 5 years ago
Alternatives and similar repositories for pawpyseed
Users that are interested in pawpyseed are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Solve the N-D time-independent Schrödinger equation for a single particle.☆10Nov 24, 2019Updated 6 years ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆61Aug 27, 2026Updated 2 months ago
- Calculate parity of a k point using WAVECAR☆11Oct 10, 2019Updated 7 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ☆11Dec 10, 2023Updated 2 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆25Jun 9, 2020Updated 6 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆108Apr 13, 2021Updated 5 years ago
- Blender extensions for illustrations of phonons☆71Mar 6, 2019Updated 7 years ago
- ☆18Mar 24, 2025Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆56Nov 6, 2025Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆125Updated this week
- Visualise lattice vibrations☆113Oct 21, 2026Updated 2 weeks ago
- Analysis of quantum chemical interactions in molecules and solids.☆127Oct 29, 2026Updated last week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- KPROJ: A Band Unfolding Program☆50Feb 6, 2025Updated last year
- ☆43Updated this week
- Ab initio simulator for thermal transport and lattice anharmonicity☆212Oct 30, 2026Updated last week
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated 2 years ago
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 5 months ago
- Menagerie of generative AI models for materials design☆15Nov 11, 2025Updated 11 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Julia codes to play with Phonons☆25Nov 7, 2018Updated 7 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆295Apr 27, 2026Updated 6 months ago
- ☆10Sep 26, 2025Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆37Updated this week
- ☆83Oct 18, 2026Updated 2 weeks ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆34Nov 30, 2024Updated last year
- Python software that implements the formulation for evaluating the effects of electron-phonon coupling on the optical properties of defec…☆12Sep 30, 2026Updated last month
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆36May 27, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆40Oct 8, 2019Updated 7 years ago
- A library of Python modules for reading/writing and manipulating data associated with the wannier90 code☆14Mar 30, 2021Updated 5 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Band structure unfolding made easy!☆71Updated this week
- Interface to DFT codes. Supported by the Flatiron Institute.☆48Aug 5, 2026Updated 3 months ago
- Supplementary material for N. C. Frey, M. K. Horton, J. M. Munro, S. M. Griffin, K. A. Persson, and V. B. Shenoy, Science Advances 09 Dec…☆10Sep 30, 2022Updated 4 years ago
- python interface to isotropy☆18Aug 12, 2020Updated 6 years ago