Dear users, we have installed a new software: QuantumESPRESSO 7.3.1:
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QuantumESPRESSO: QuantumESPRESSO/7.3.1
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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).
You will need to load all module(s) on any one of the lines below before the "QuantumESPRESSO/7.3.1" module is available to load.
GCC/12.3.0 OpenMPI/4.1.5
Help:
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
Best,
HPC team