Akou-stack / phonon-thermal-transportLinks
This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, various python post processing scripts, and other other key files, including initial atomistic model of stochastically created polycrystalline graphene, that work as input for the different scripts.
☆14Updated 2 years ago
Alternatives and similar repositories for phonon-thermal-transport
Users that are interested in phonon-thermal-transport are comparing it to the libraries listed below
Sorting:
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated last year
- Interfacial Phonon code☆28Updated 3 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 2 weeks ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 4 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆48Updated 2 weeks ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago
- TDEP Tutorials☆34Updated 7 months ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆33Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Updated 5 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 6 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated 3 weeks ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆49Updated 6 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 2 months ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆26Updated 2 months ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Updated 5 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 7 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated last week
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago