Python framework for generating and validating pseudo potentials
☆52Nov 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:
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆258Mar 12, 2026Updated last month
- Open-source library for analyzing the results produced by ABINIT☆138Mar 30, 2026Updated 2 weeks ago
- Finite-size corrections of defect energy levels involving ionic polarization☆10Oct 20, 2022Updated 3 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Feb 27, 2024Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆46Updated this week
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Computes the electronic band structure of bulk ZB semiconductor with various k.p models☆15Apr 1, 2021Updated 5 years ago
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- Phonon code☆473Updated this week
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Jan 21, 2020Updated 6 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆116Apr 7, 2026Updated last week
- ☆20Aug 10, 2023Updated 2 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆158Jan 31, 2026Updated 2 months ago
- Pseudopotential Studio☆21May 6, 2021Updated 4 years ago
- ASE density-functional tight-binding calculator☆68Jan 23, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- GW100 data repository and post processing tools☆14Dec 16, 2025Updated 3 months ago
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 3 months ago
- Visualize vibrational modes from VASP calculations☆46Jan 20, 2025Updated last year
- High performance Brillouin Zone Meshes☆11May 15, 2024Updated last year
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Sep 14, 2020Updated 5 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 4 months ago
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆29Mar 4, 2026Updated last month
- ☆17May 29, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Domain specific library for electronic structure calculations☆163Apr 2, 2026Updated last week
- Determinant quantum Monte Carlo code for simulating an antiferromagnetic quantum critical metal☆22Dec 9, 2020Updated 5 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Jun 23, 2020Updated 5 years ago
- A library of ultrasoft and PAW pseudopotentials☆97Sep 16, 2022Updated 3 years ago
- Full data of our published papers☆12Oct 11, 2018Updated 7 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK☆25Dec 31, 2025Updated 3 months ago
- Official repository of the Wannier90 code☆314Updated this week
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆223Apr 7, 2026Updated last week
- 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.
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆16Mar 28, 2026Updated 2 weeks ago
- 1D Schroedinger solver in semiconductor with effective mass☆13Apr 1, 2021Updated 5 years ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆66Jan 29, 2020Updated 6 years ago
- A simulation package of phonon-phonon interaction related properties☆161Updated this week
- A JupyterLab launcher extension to view the molecular orbitals.☆19Sep 12, 2024Updated last year
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆59Jul 17, 2025Updated 8 months ago
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆658Updated this week