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).
homepage: https://www.quantum-espresso.org
| version | versionsuffix | toolchain |
|---|---|---|
5.3.0 |
intel/2016.02-GCC-4.9 |
|
5.4.0 |
-hybrid |
foss/2016b |
5.4.0 |
intel/2016.02-GCC-4.9 |
|
6.0 |
intel/2016b |
|
6.1 |
intel/2017a |
|
6.2 |
intel/2017b |
|
6.2.1 |
iomkl/2017b |
|
6.3 |
foss/2018b |
|
6.3 |
intel/2018b |
|
6.4.1 |
intel/2019a |
|
6.5 |
intel/2019a |
|
6.5 |
intel/2019b |
|
6.6 |
foss/2019b |
|
6.6 |
foss/2020a |
|
6.6 |
foss/2020b |
|
6.6 |
intel/2019b |
|
6.6 |
intel/2020a |
|
6.7 |
foss/2019b |
|
6.7 |
foss/2020b |
|
6.7 |
foss/2021a |
|
6.7 |
intel/2019b |
|
6.7 |
intel/2021a |
|
6.7 |
iomkl/2019b |
|
6.8 |
foss/2021a |
|
6.8 |
foss/2021b |
|
6.8 |
intel/2021a |
|
7.0 |
foss/2021b |
|
7.0 |
intel/2021b |
|
7.1 |
foss/2022a |
|
7.1 |
intel/2022a |
|
7.2 |
foss/2022b |
|
7.2 |
foss/2023a |
|
7.2 |
intel/2022b |
|
7.3 |
foss/2023a |
|
7.3 |
intel/2023a |
|
7.3.1 |
foss/2023a |
|
7.3.1 |
intel/2023a |
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