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
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Version | Module | Available on |
|---|---|---|
7.3-foss-2023a | chem/QuantumESPRESSO/7.3-foss-2023a | Noctua 1, Noctua 2 |
7.2-intel-2022b | chem/QuantumESPRESSO/7.2-intel-2022b | Noctua 1 |
7.2-foss-2022b | chem/QuantumESPRESSO/7.2-foss-2022b | Noctua 1 |
7.1-intel-2022a | chem/QuantumESPRESSO/7.1-intel-2022a | Noctua 1, Noctua 2 |
7.1-foss-2022a | chem/QuantumESPRESSO/7.1-foss-2022a | Noctua 1, Noctua 2 |
7.0-intel-2021b | chem/QuantumESPRESSO/7.0-intel-2021b | Noctua 1 |
7.0-intel-2021a | chem/QuantumESPRESSO/7.0-intel-2021a | Noctua 2 |
7.0-foss-2021a | chem/QuantumESPRESSO/7.0-foss-2021a | Noctua 1, Noctua 2 |
6.8-foss-2021b | chem/QuantumESPRESSO/6.8-foss-2021b | Noctua 1, Noctua 2 |
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