QuantumESPRESSO

Description

Quantum ESPRESSO is an integrated suite of computer codes

for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials

(both norm-conserving and ultrasoft).

More information

• Homepage: https://www.quantum-espresso.org

Availability

Module	Manneback	Lemaitre4
QuantumESPRESSO/7.2-foss-2023a		√