pace-neutrons / EuphonicLinks
Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.
☆38Updated last week
Alternatives and similar repositories for Euphonic
Users that are interested in Euphonic are comparing it to the libraries listed below
Sorting:
- Implementation for computing nonradiative recombination rates in semiconductors☆50Updated last week
- Band structure unfolding made easy!☆58Updated 3 weeks ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated last month
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 6 months ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Updated 3 months ago
- TDEP Tutorials☆33Updated 5 months ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Compressive sensing lattice dynamics☆31Updated 8 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆93Updated last week
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated 2 months ago
- A for finding optimized SQS structures tool written in C++☆58Updated 2 weeks ago
- Interfacial Phonon code☆28Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 2 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆67Updated last year
- A Python suite for manipulating VASP input and output☆48Updated last week
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 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
- Python package to analyse the structural dynamics of perovskites☆46Updated 2 months ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last week
- Materials Interface: methods in computational materials science☆26Updated 8 years ago
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆22Updated last week
- Site-Occupation Disorder☆46Updated 7 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- ☆22Updated 2 years ago