munrojm / DiSPyLinks
Utility for applying the distortion symmetry method.
☆28Updated last year
Alternatives and similar repositories for DiSPy
Users that are interested in DiSPy are comparing it to the libraries listed below
Sorting:
- ☆23Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated 2 months ago
- quick analysis of vasp calculation☆36Updated last year
- Compressive sensing lattice dynamics☆28Updated 6 months ago
- Tools for Phono(3)py power users.☆34Updated last year
- TDEP Tutorials☆32Updated 2 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆50Updated last week
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 10 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆45Updated last year
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆39Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- DensityTool post-processing program for VASP☆31Updated last year
- ☆19Updated 8 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Band structure unfolding made easy!☆53Updated this week
- Interfacial Phonon code☆28Updated 3 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 3 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆33Updated 2 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- ☆26Updated 7 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Visualizations☆14Updated 3 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- ☆12Updated 2 years ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆29Updated 11 months ago
- TB3Py: Two- and three-body tight-binding calculations for materials☆17Updated 10 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago