GPAW-setups
PAW setups for the GPAW Density Functional Theory package. Users can install setups manually using 'gpaw install-data' or use setups from this package. The versions of GPAW and GPAW-setups can be intermixed.Compared to version 0.9.20000, version 24.1.0 contains an new improved Cr setup with 14 electrons, which can be manually selected. Otherwise no changes are made, so no results will change.
https://wiki.fysik.dtu.dk/gpaw/
Available modules
The overview below shows which GPAW-setups installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using GPAW-setups, load one of these modules using a module load command like:
1 | |
(This data was automatically generated on Thu, 05 Jun 2025 at 12:15:06 EDT)
| neoverse_v1 | generic | zen2 | zen3 | zen4 | haswell | skylake_avx512 | |
|---|---|---|---|---|---|---|---|
| Grace Nodes | everywhere (except Grace nodes) | amd20 | amd22 | amd24 | intel16 | intel18,amd20-v100,amd21,intel21 | |
| GPAW-setups/24.1.0 | - | x | - | - | - | - | - |