abelcarreras / phonolammpsLinks
LAMMPS interface for phonon calculations using phonopy
☆91Updated last month
Alternatives and similar repositories for phonolammps
Users that are interested in phonolammps are comparing it to the libraries listed below
Sorting:
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆96Updated 3 weeks ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆82Updated 7 months ago
- ☆61Updated 3 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- A tool for finding optimized SQS structures tool written in C++☆60Updated last week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆68Updated last year
- Visualize vibrational modes from VASP calculations☆45Updated 11 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆64Updated last month
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last month
- ☆73Updated 8 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆48Updated last week
- Defect structure-searching employing chemically-guided bond distortions☆111Updated this week
- Site-Occupation Disorder☆47Updated 8 months ago
- ☆45Updated 7 years ago
- Band unfolding for phonons☆58Updated last year
- A python class for parsing VASP XDATCAR from molecular dynamics☆26Updated last year
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated last month
- Examples demonstrating how to reproduce the results in the paper.☆68Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 7 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated 2 months ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆28Updated 2 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆72Updated last month
- A plugin to AiiDA for running simulations with VASP☆60Updated last week
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 3 months ago
- Occupation matrix control modification VASP☆53Updated 6 years ago
- Band structure unfolding made easy!☆58Updated last week