Python framework for generating and validating pseudo potentials
☆54Nov 8, 2023Updated 2 years ago
Alternatives and similar repositories for pseudo_dojo
Users that are interested in pseudo_dojo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Pseudopotential Studio☆22May 6, 2021Updated 5 years ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆269Oct 11, 2026Updated 3 weeks ago
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆56Updated this week
- ☆17May 29, 2024Updated 2 years 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.
- Phonon code☆505Updated this week
- ASE density-functional tight-binding calculator☆69Jan 23, 2025Updated last year
- Finite-size corrections of defect energy levels involving ionic polarization☆11Oct 20, 2022Updated 4 years ago
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆41May 14, 2026Updated 5 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆96Jan 21, 2020Updated 6 years ago
- Computes the electronic band structure of bulk ZB semiconductor with various k.p models☆16Apr 1, 2021Updated 5 years ago
- DFT control☆13Sep 14, 2023Updated 3 years ago
- Open-source library for analyzing the results produced by ABINIT☆143Oct 3, 2026Updated 3 weeks ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Feb 27, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆19Aug 10, 2023Updated 3 years ago
- Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalone code and Fortran/C/Python library)☆346Oct 20, 2026Updated last week
- Post-processing of electron-phonon coupling calculations from Abinit☆16Jan 6, 2021Updated 5 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆169Sep 25, 2026Updated last month
- Visualise lattice vibrations☆113Oct 21, 2026Updated last week
- A library of ultrasoft and PAW pseudopotentials☆108Sep 16, 2022Updated 4 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆125Updated this week
- Datasets to be used by ESPEI. CC-BY-4.0☆16Oct 9, 2021Updated 5 years ago
- ☆30Sep 9, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- GW100 data repository and post processing tools☆14Dec 16, 2025Updated 10 months ago
- Molecular inferring project developed by the Discrete Mathematics Lab at Kyoto University.☆10May 26, 2026Updated 5 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆60Jun 26, 2026Updated 4 months ago
- Domain specific library for electronic structure calculations☆174Updated this week
- Code for the paper "Algorithmic differentiation for plane-wave DFT"☆11Mar 4, 2026Updated 7 months ago
- This is a GPU optimized version of ShengBTE.☆20Oct 3, 2024Updated 2 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆30Sep 14, 2020Updated 6 years ago
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 10 months ago
- Visualize vibrational modes from VASP calculations☆47Sep 29, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- High performance Brillouin Zone Meshes☆11May 15, 2024Updated 2 years ago
- Tool for finding atomic environments in crystal structures☆24Mar 6, 2026Updated 7 months ago
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 11 months ago
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆20Aug 3, 2026Updated 2 months ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆228Oct 26, 2026Updated last week
- A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations☆32Aug 4, 2026Updated 2 months ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 8 years ago