JUSTUS2/Software/Quantum ESPRESSO

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Description Content
module load chem/quantum_espresso
Availability BwForCluster_Chemistry | BwForCluster_JUSTUS_2
License Open-source software, distributed under the GNU General Public License (GPL). More...
Citing Paolo Giannozzi et al 2009 J. Phys.: Condens. Matter 21 395502

DOI: 10.1088/0953-8984/21/39/395502.

Links Homepage | Documentation
Graphical Interface No
Plugins EPW

1 Description

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modelling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.

2 Availability

Quantum ESPRESSO is available on selected bwHPC-Clusters. A complete list of versions currently installed on the bwHPC-Clusters can be obtained from the Cluster Information System (CIS).

In order to check which versions of Quantum ESPRESSO are installed on the compute cluster, run the following command: 

$ module avail chem/quantum_espresso
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