WMD-group / PhononsLinks
A collection of structures, force constants and phonon data obtained from first-principles calculations
☆41Updated 5 years ago
Alternatives and similar repositories for Phonons
Users that are interested in Phonons are comparing it to the libraries listed below
Sorting:
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated last month
- Tools for Phono(3)py power users.☆35Updated 2 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Updated 4 months ago
- A collection of crystal structures from first-principles simulations☆37Updated 5 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Updated 2 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22Updated 5 months ago
- TDEP Tutorials☆34Updated 8 months ago
- quick analysis of vasp calculation☆38Updated last year
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 3 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Band structure unfolding made easy!☆60Updated 2 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Updated 6 years ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- Docs and examples for Quantum-Espresso☆17Updated 8 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 4 years ago
- ☆22Updated 2 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆21Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- ☆27Updated last year
- A Python suite for manipulating VASP input and output☆49Updated 3 months ago
- Compressive sensing lattice dynamics☆32Updated 11 months ago
- ☆21Updated last year