LLNL / USER-EPH
LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.
☆13Updated last year
Alternatives and similar repositories for USER-EPH:
Users that are interested in USER-EPH are comparing it to the libraries listed below
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- Interfacial Phonon code☆25Updated 2 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 9 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated 3 weeks ago
- Massively parallel vibrational mode calculator.☆23Updated 5 months ago
- Tools for Phono(3)py power users.☆31Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆28Updated last month
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- TDEP Tutorials☆24Updated last month
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆28Updated 3 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated last month
- Builds 2D heterostructures via coincidence lattice theory.☆13Updated last year
- Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…☆12Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆12Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Updated 3 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- ☆22Updated last month
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆25Updated 5 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆22Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated 2 weeks ago
- high dimensional neural network potential☆21Updated 2 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year