Akou-stack / phonon-thermal-transport
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.
☆11Updated last year
Alternatives and similar repositories for phonon-thermal-transport:
Users that are interested in phonon-thermal-transport are comparing it to the libraries listed below
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆29Updated 3 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated 3 months ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆25Updated 5 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆29Updated last month
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last month
- Interfacial Phonon code☆26Updated 2 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- This GitHub repository contains additional information supporting published manuscripts☆16Updated 6 months ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆28Updated 3 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆12Updated 5 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago
- Tools for Phono(3)py power users.☆32Updated last year
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- DFT post processing tools☆23Updated 8 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆18Updated 2 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆23Updated 2 years ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 5 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- Calculate 3rd order elastic constant.☆13Updated this week
- TDEP Tutorials☆25Updated 3 months ago