tdep-developers / tdepLinks
The Temperature Dependent Effective Potentials (TDEP) code
☆90Updated 2 weeks ago
Alternatives and similar repositories for tdep
Users that are interested in tdep are comparing it to the libraries listed below
Sorting:
- Defect structure-searching employing chemically-guided bond distortions☆106Updated last month
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 4 months ago
- Band structure unfolding made easy!☆56Updated last month
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last month
- ☆57Updated 3 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆132Updated this week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Site-Occupation Disorder☆44Updated 5 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated 2 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 4 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated last month
- ☆69Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated this week
- Compressive sensing lattice dynamics☆31Updated 7 months ago
- Visualize vibrational modes from VASP calculations☆43Updated 8 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 7 months ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated 3 weeks ago
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- A for finding optimized SQS structures tool written in C++☆50Updated this week
- Massively parallel vibrational mode calculator.☆23Updated last year
- Band unfolding for phonons☆57Updated 11 months ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆56Updated 2 months ago
- ☆65Updated 5 months ago
- ☆94Updated 10 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- ☆52Updated 11 months ago
- Tools for Phono(3)py power users.☆34Updated last year