A Python library for electronic structure pre/post-processing
☆219Jan 29, 2026Updated 6 months ago
Alternatives and similar repositories for pyprocar
Users that are interested in pyprocar are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆336Jun 9, 2025Updated last year
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆291Apr 27, 2026Updated 3 months ago
- Heavyweight plotting tools for ab initio calculations☆255Apr 9, 2026Updated 4 months ago
- ☆81Updated this week
- Advanced tool for Wannier interpolation and integration of k-space integrals☆121Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆86Aug 3, 2025Updated last year
- Manipulating VASP files with Python.☆302May 15, 2026Updated 3 months ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆137May 26, 2026Updated 2 months ago
- An updated version of the VASP2WANNIER90v2 interface☆111Sep 19, 2023Updated 2 years ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆226Updated this week
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- A plugin to AiiDA for running simulations with VASP☆64Updated this week
- Ab initio simulator for thermal transport and lattice anharmonicity☆202Jul 29, 2026Updated 2 weeks ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Electronic transport properties from first-principles calculations☆163Updated this week
- Python Materials Discovery Framework☆76Feb 2, 2024Updated 2 years ago
- A tool for calculating topological invariants.☆98Feb 20, 2025Updated last year
- Useful scripts for VASP☆206Dec 28, 2021Updated 4 years ago
- Site-Occupancy Disorder (SOD)☆58Jul 8, 2026Updated last month
- Automatic search for the most stable magnetic state of a given structure☆26Feb 17, 2026Updated 6 months ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Aug 27, 2018Updated 7 years ago
- Official repository of the Wannier90 code☆335Jul 31, 2026Updated 2 weeks ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 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.
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 6 months ago
- Occupation matrix control modification VASP☆61Sep 11, 2019Updated 6 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 3 years ago
- ☆29Jun 30, 2024Updated 2 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Apr 13, 2021Updated 5 years ago
- ☆20Jan 22, 2022Updated 4 years ago
- A Python 3 script to visualise atomic displacement using the Vesta file format☆24Apr 19, 2020Updated 6 years ago
- ☆40Oct 8, 2019Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An open-source framework to treat strongly correlated materials using DMFT.☆64Jun 12, 2026Updated 2 months ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 8 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆167Apr 22, 2026Updated 3 months ago
- Band structure unfolding made easy!☆67Jul 6, 2026Updated last month
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆263Jul 18, 2024Updated 2 years ago
- Phonon code☆488Updated this week
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆94Apr 3, 2025Updated last year