GPAW¶
GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom-centered basis-functions.
homepage: https://wiki.fysik.dtu.dk/gpaw/
| version | versionsuffix | toolchain |
|---|---|---|
20.10.0 |
foss/2020b |
|
20.10.0 |
intel/2020b |
|
21.1.0 |
-ASE-3.21.1 |
foss/2020b |
21.1.0 |
-ASE-3.21.1 |
intel/2020b |
21.6.0 |
-ASE-3.22.0 |
foss/2020b |
21.6.0 |
foss/2021a |
|
21.6.0 |
-ASE-3.22.0 |
intel/2020b |
22.8.0 |
foss/2021b |
|
22.8.0 |
foss/2022a |
|
22.8.0 |
intel/2021b |
|
22.8.0 |
intel/2022a |
|
23.9.1 |
foss/2022a |
|
23.9.1 |
foss/2023a |
|
23.9.1 |
intel/2022a |
|
24.1.0 |
foss/2022a |
|
24.1.0 |
foss/2023a |
|
24.1.0 |
intel/2022a |
|
24.1.0 |
intel/2023a |
|
24.6.0 |
-ASE-3.23.0 |
foss/2023a |
24.6.0 |
foss/2024a |
|
24.6.0 |
-ASE-3.23.0 |
intel/2023a |
25.1.0 |
-ASE-3.24.0 |
foss/2024a |
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