ashtonmv / pyrhoLinks
A real-space DFT code
☆16Updated 4 years ago
Alternatives and similar repositories for pyrho
Users that are interested in pyrho are comparing it to the libraries listed below
Sorting:
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- AiiDA plugin for the Wannier90 code☆11Updated last year
- Phonons for AiiDA☆20Updated last month
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆21Updated 5 months ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- Fermi surface generation, analysis and visualisation.☆96Updated last week
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆33Updated last week
- Visualizations☆14Updated 3 years ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆20Updated last month
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- DFT simulation of He atom☆13Updated 4 years ago
- AiiDAlab App for Quantum ESPRESSO☆20Updated 2 weeks ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- A set of useful tools for Quantum ESPRESSO☆33Updated this week
- BerkeleyGW python☆31Updated 3 years ago
- D3Q + thermal2☆26Updated 3 weeks ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- AiiDA tutorials web site☆24Updated last week
- A module for ASE for elastic constants calculation.☆46Updated 8 months ago
- A Wannier90 python interface for VASP and PySCF☆40Updated last year
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- interacting Dynamic Electrons Approach☆27Updated 3 months ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆38Updated 7 months ago
- Python modules for electron–phonon models☆36Updated last week
- A general parser for VASP☆15Updated last week