quantum-espresso-pseudopotentials

Pseudopotentials for use with Quantum Espresso

quantum-espresso-pseudopotentials contains pseudopotentials that are normally needed in order to run quantum chemistry computations in the Quantum Espresso suite. Quantum Espresso is an integrated suite of open-source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.