There is a newer version of QuantumESPRESSOQuantum 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 6.6-foss-2019b
To load the module for QuantumESPRESSO 6.6-foss-2019b please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load QuantumESPRESSO/6.6-foss-2019b
BEAR Apps Version
For more information visit the QuantumESPRESSO website.
This version of QuantumESPRESSO has a direct dependency on: ELPA/2019.11.001-foss-2019b foss/2019b HDF5/1.10.5-gompi-2019b libxc/4.3.4-GCC-8.3.0
These versions of QuantumESPRESSO are available on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.
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Last modified on 18th December 2020