Quantum Espresso

Information regarding the Quantum Espresso installed on our clusters.

Related information

• First time you run a Quantum Espresso job?
• Quantum Espresso in our cluster

General information

Description

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.

Online information

• Homepage: https://www.quantum-espresso.org/

• Documentation: https://www.quantum-espresso.org/resources/users-manual

• Tutorials: https://www.quantum-espresso.org/resources/tutorials

Citation

When publishing results obtained with the referred software referred, please do check the developers web page in order to find the correct citation(s).