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:
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆56Updated this week
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆269Updated this week
- Phonon code☆502Updated this week
- Finite-size corrections of defect energy levels involving ionic polarization☆11Oct 20, 2022Updated 3 years ago
- Computes the electronic band structure of bulk ZB semiconductor with various k.p models☆16Apr 1, 2021Updated 5 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.
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Feb 27, 2024Updated 2 years ago
- ☆19Aug 10, 2023Updated 3 years ago
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆123Updated this week
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆96Jan 21, 2020Updated 6 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆167Sep 25, 2026Updated 2 weeks ago
- Open-source library for analyzing the results produced by ABINIT☆143Oct 3, 2026Updated last week
- Pseudopotential Studio☆22May 6, 2021Updated 5 years ago
- GW100 data repository and post processing tools☆14Dec 16, 2025Updated 9 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ASE density-functional tight-binding calculator☆69Jan 23, 2025Updated last year
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 9 months 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
- Visualize vibrational modes from VASP calculations☆47Sep 29, 2026Updated 2 weeks ago
- High performance Brillouin Zone Meshes☆11May 15, 2024Updated 2 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 10 months ago
- Density matrix embedding theory for periodic systems☆19Dec 3, 2021Updated 4 years ago
- ☆17May 29, 2024Updated 2 years ago
- Domain specific library for electronic structure calculations☆174Oct 2, 2026Updated last 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.
- A library of ultrasoft and PAW pseudopotentials☆106Sep 16, 2022Updated 4 years ago
- Determinant quantum Monte Carlo code for simulating an antiferromagnetic quantum critical metal☆22Dec 9, 2020Updated 5 years ago
- Full data of our published papers☆12Oct 11, 2018Updated 8 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 7 years ago
- Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalone code and Fortran/C/Python library)☆345Updated this week
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆228Updated this week
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆21Updated this week
- Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK☆25Dec 31, 2025Updated 9 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- 1D Schroedinger solver in semiconductor with effective mass☆13Apr 1, 2021Updated 5 years ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆67Jan 29, 2020Updated 6 years ago
- A simulation package of phonon-phonon interaction related properties☆170Updated this week
- A JupyterLab launcher extension to view the molecular orbitals.☆19Jul 25, 2026Updated 2 months ago
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆64Jul 17, 2025Updated last year
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆40May 14, 2026Updated 4 months ago
- Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects☆16Dec 31, 2025Updated 9 months ago