QuantumESPRESSO
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
For more information visit the QuantumESPRESSO website.
Available Versions
These versions of QuantumESPRESSO are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.
| Version | BEAR Apps Version |
|---|---|
| 7.2-foss-2022b | 2022b |
| 7.0-foss-2021b | 2021b |
| 6.7-iomkl-2019b | 2019b |
| 6.6-iomkl-2019b | 2019b |
| 6.6-foss-2019b | 2019b |