tyst3273 / phonon-sedLinks
Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
☆29Updated 4 years ago
Alternatives and similar repositories for phonon-sed
Users that are interested in phonon-sed are comparing it to the libraries listed below
Sorting:
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆47Updated last week
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 11 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆50Updated 11 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated 11 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 2 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated 2 weeks ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated 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
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Updated 5 years ago
- Visualize vibrational modes from VASP calculations☆44Updated 10 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆20Updated 8 months ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆30Updated 3 years ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Updated 6 years ago
- Some examples of GPUMD☆23Updated last year
- Occupation matrix control modification VASP☆52Updated 6 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- some toolkits for VASP☆32Updated 4 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- ☆60Updated 3 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆23Updated last year
- A code for generating irreducible site-occupancy configurations☆51Updated last year