Tingliangstu / pySEDLinks
To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
☆44Updated 3 weeks ago
Alternatives and similar repositories for pySED
Users that are interested in pySED are comparing it to the libraries listed below
Sorting:
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 10 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆31Updated 3 weeks ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 6 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated last month
- This GitHub repository contains additional information supporting published manuscripts☆18Updated last year
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated 10 months ago
- Some scripts for gpumd and nep☆21Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆49Updated 10 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Some examples of GPUMD☆23Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Visualize vibrational modes from VASP calculations☆44Updated 9 months ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆31Updated last month
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆30Updated 3 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆93Updated last week
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆69Updated 2 weeks ago
- Material structure processing software based on ASE (Atomic Simulation Environment)☆62Updated this week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated 2 months ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆25Updated 2 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Updated 5 years ago
- A Python interface for GPUMD☆32Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago