Python framework for generating and validating pseudo potentials
☆51Nov 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
Sorting:
- Pseudopotential Studio☆21May 6, 2021Updated 4 years ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆254Feb 7, 2026Updated 3 weeks ago
- ☆20Aug 10, 2023Updated 2 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Feb 27, 2024Updated 2 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆114Feb 22, 2026Updated last week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆154Jan 31, 2026Updated last month
- GW100 data repository and post processing tools☆14Dec 16, 2025Updated 2 months ago
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- Computes the electronic band structure of bulk ZB semiconductor with various k.p models☆15Apr 1, 2021Updated 4 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Jan 21, 2020Updated 6 years ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆14May 26, 2025Updated 9 months ago
- ☆17May 29, 2024Updated last year
- ASE density-functional tight-binding calculator☆68Jan 23, 2025Updated last year
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- A JupyterLab launcher extension to view the molecular orbitals.☆19Sep 12, 2024Updated last year
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- Phonon code☆462Feb 24, 2026Updated last week
- Domain specific library for electronic structure calculations☆164Updated this week
- Open-source library for analyzing the results produced by ABINIT☆136Updated this week
- Official repository of the Wannier90 code☆304Feb 9, 2026Updated 3 weeks ago
- A library of ultrasoft and PAW pseudopotentials☆93Sep 16, 2022Updated 3 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆47Updated this week
- Library for Green’s function based electronic structure theory calculations☆28Nov 11, 2025Updated 3 months ago
- Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK☆25Dec 31, 2025Updated 2 months ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- DCA++☆40Jan 30, 2026Updated last month
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 2 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Jun 23, 2020Updated 5 years ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆221Feb 16, 2026Updated 2 weeks ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆46Feb 20, 2026Updated last week
- ☆22Feb 23, 2026Updated last week
- High performance Brillouin Zone Meshes☆11May 15, 2024Updated last year
- ☆11Mar 13, 2021Updated 4 years ago
- Calculating electron-phonon couplings with DFTB.☆10Feb 20, 2026Updated last week
- ☆10Sep 27, 2024Updated last year
- DFT-D3 interface☆12Apr 3, 2023Updated 2 years ago
- Registry for BIG-MAP apps and codes. Find the apps☆10Updated this week
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year