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.
Feel free to contact the developers:
Feel free to create new issues, merge requests or fork your own QEpy on our GitHub page.
Official site: qepy.rutgers.edu
QEpy YouTube Playlist ↗
