QuantumESPRESSO 7.2-foss-2022bQuantum 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 QuantumESPRESSO/7.2-foss-2022b
BEAR Apps Version
For more information visit the QuantumESPRESSO website.
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.
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Last modified on 1st September 2023