Tingliangstu / Spectral-decomposition-python-toolsLinks
Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
☆16Updated 5 years ago
Alternatives and similar repositories for Spectral-decomposition-python-tools
Users that are interested in Spectral-decomposition-python-tools are comparing it to the libraries listed below
Sorting:
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆29Updated 5 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆10Updated 3 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆34Updated last month
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 8 months ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆25Updated 5 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆12Updated 5 years ago
- Molecular dynamics package designed for the SIESTA DFT code.☆15Updated last week
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆27Updated 5 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆25Updated 2 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last month
- TDEP Tutorials☆30Updated this week
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- Calculate 3rd order elastic constant.☆13Updated 2 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last month
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- ☆11Updated 5 years ago
- some toolkits for VASP☆29Updated 4 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 2 months ago
- extract third order force constants from TDEP output☆9Updated 4 years ago
- ☆19Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago