Skip to content

condmatr/ElphonPy

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

60 Commits
 
 
 
 
 
 

Repository files navigation

ElphonPy: A simple python interface expediting electron-phonon calculations using EPW.

Tutorial & full documentation coming soon!

Currently ElphonPy does not have a distributable, but this repository can be directly cloned to your home directory and import into your python files or Jupyter notebook as follows:

import sys

sys.path.append('PATH-TO-ELPHONPY')

Prerequisite packages: pymatgen, numpy, matplotlib.pyplot

Programs that are used in some ElphonPy functions:

read_relax_output --> pwo2xsf.sh (found in ~/qe-installation/PW/tools, and should be added to your .bashrc PATH.)