tyst3273 / phonon-sed
Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
☆24Updated 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
- Export Eigenvectors from Phonopy format to VESTA☆41Updated 4 months ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆29Updated 4 months ago
- Visualize vibrational modes from VASP calculations☆41Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 2 weeks ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆27Updated 4 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆57Updated this week
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 3 weeks ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 5 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆25Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- quick analysis of vasp calculation☆35Updated 10 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated 2 months ago
- A grain boundary generation code☆65Updated last year
- some toolkits for VASP☆29Updated 3 years ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆23Updated 2 years ago
- Occupation matrix control modification VASP☆46Updated 5 years ago
- ☆19Updated 5 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 6 months ago
- Tools for Phono(3)py power users.☆33Updated last year