sheriftawfikabbas / pyphotonicsLinks
☆23Updated 9 months ago
Alternatives and similar repositories for pyphotonics
Users that are interested in pyphotonics are comparing it to the libraries listed below
Sorting:
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Updated last year
- python workflow for GW-BSE calculation☆30Updated 2 years ago
- TDEP Tutorials☆32Updated 4 months ago
- ☆20Updated 9 months ago
- Tools for Phono(3)py power users.☆34Updated last year
- Compressive sensing lattice dynamics☆31Updated 7 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 4 months ago
- ☆22Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 11 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆32Updated 11 months ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Updated 5 years ago
- ☆27Updated 9 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆42Updated last year
- Interfacial Phonon code☆28Updated 3 years ago
- AICON2: A program for calculating transport properties quickly and accurately