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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
1.4.0 -Python-3.6.6 foss/2018b
1.4.0 -Python-3.6.6 intel/2018b
19.8.1 -ASE-3.18.0-Python-3.6.6 foss/2018b
19.8.1 -Python-3.7.2 foss/2019a
19.8.1 -ASE-3.18.0-Python-3.6.6 intel/2018b
19.8.1 -Python-3.7.2 intel/2019a
20.1.0 -Python-3.7.4 foss/2019b
20.1.0 -Python-3.7.4 intel/2019b
20.10.0 -ASE-3.20.1-Python-3.7.4 foss/2019b
20.10.0 foss/2020b
20.10.0 -ASE-3.20.1-Python-3.7.4 intel/2019b
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 -ASE-3.23.0 intel/2023a

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