msg-byu / autoGR
Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
☆37Updated 7 months ago
Alternatives and similar repositories for autoGR:
Users that are interested in autoGR are comparing it to the libraries listed below
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆32Updated last month
- Band structure unfolding made easy!☆46Updated last week
- python workflow for GW-BSE calculation☆26Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- ☆29Updated 8 months ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated 2 years ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆45Updated this week
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 4 years ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- DensityTool post-processing program for VASP☆28Updated last year
- A Wannier90 python interface for VASP and PySCF☆36Updated last year
- Suite of Python scripts for Perturbo testing and postprocessing☆10Updated last week
- Tools for Phono(3)py power users.☆32Updated last year
- Interfacial Phonon code☆26Updated 2 years ago
- Band unfolding for phonons☆54Updated 4 months ago
- GUI4dft - first free SIESTA oriented GUI☆24Updated this week
- Python modules for electron–phonon models☆29Updated 2 weeks ago
- Blender extensions for illustrations of phonons☆62Updated 6 years ago
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆19Updated 4 months ago
- A module for ASE for elastic constants calculation.☆41Updated last month
- Implementation for computing nonradiative recombination rates in semiconductors☆43Updated 5 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- TDEP Tutorials☆25Updated 3 months ago
- ☆36Updated 5 years ago
- Phonon for AiiDA☆19Updated 2 weeks ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆23Updated 2 years ago