gabkrenzer / PhononFlow
A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
☆34Updated 2 years ago
Alternatives and similar repositories for PhononFlow:
Users that are interested in PhononFlow are comparing it to the libraries listed below
- Tools for Phono(3)py power users.☆33Updated last year
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆21Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆29Updated 4 months ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Updated 4 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆32Updated 2 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 3 weeks ago
- Interfacial Phonon code☆26Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆41Updated 3 months ago
- ☆19Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 4 months ago
- TDEP Tutorials☆29Updated 2 weeks ago
- Script to generate distorted perovskite structures☆11Updated last year
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆27Updated 4 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last week
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last month
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 7 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- ☆19Updated 4 months ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 3 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- DFT post processing tools☆24Updated 9 months ago
- ☆11Updated 2 years ago
- some toolkits for VASP☆29Updated 4 years ago