QuantumESPRESSO 2016
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Introduction
Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. ¹
Installed version(s)
This version is installed and currently available
on environment hpc-env/8.3:
QuantumESPRESSO/6.6-intel-2019b QuantumESPRESSO/6.7-iomkl-2019b
Using QuantumESPRESSO
To load the desired version of the module, use the command, e.g.
module load hpc-env 8.3 module load QuantumESPRESSO/6.6-intel-2019b
Always remember: this command is case sensitive!
If you want to find out more about QuantumESPRESSO on the HPC cluster, you can use the command
module spider QuantumESPRESSO
This will show you basic information e.g. a short description and the currently installed version.
Documentation
The full documentation can be found here.
