QEpy
QEpy turns Quantum ESPRESSO (QE) into a Python DFT engine for nonstandard workflows. QEpy allows the user to include external potentials, use custom xc functionals, and can also be used as a calculator for ASE.
QEpy developers
Feel free to contact the developers:
On-line
Feel free to create new issues, merge requests or fork your own QEpy on our GitHub page: https://github.com/Quantum-MultiScale/QEpy
Learn about it
External site
Official site: qepy.rutgers.edu
