WMD-group / PhononsLinks
A collection of structures, force constants and phonon data obtained from first-principles calculations
☆40Updated 5 years ago
Alternatives and similar repositories for Phonons
Users that are interested in Phonons are comparing it to the libraries listed below
Sorting:
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 5 months ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 3 years ago
- python workflow for GW-BSE calculation☆31Updated 2 years ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Updated 5 years ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Updated 4 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- TDEP Tutorials☆34Updated 6 months ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- Band structure unfolding made easy!☆58Updated last month
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 6 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Site-Occupation Disorder☆47Updated 7 months ago
- ☆21Updated 11 months ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated last week
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated 2 months ago
- Examples of using the Atomic Simulation Environment☆37Updated 9 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- Compressive sensing lattice dynamics☆31Updated 9 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year
- Converts the VASP WAVECAR to UNK files for wannier90.☆24Updated 5 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 4 years ago