QuantumESPRESSO 7.2-foss-2022b

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).

Accessing QuantumESPRESSO 7.2-foss-2022b

To load the module for QuantumESPRESSO 7.2-foss-2022b please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):

module load bear-apps/2021b
module load QuantumESPRESSO/7.2-foss-2022b

BEAR Apps Version


More Information

For more information visit the QuantumESPRESSO website.


This version of QuantumESPRESSO has a direct dependency on: ELPA/2022.05.001-foss-2022b foss/2022b HDF5/1.14.0-gompi-2022b libxc/6.1.0-GCC-12.2.0

Other Versions

These versions of QuantumESPRESSO are available on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 1st September 2023