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.

More Information

For more information visit the GPAW-setups website.

Available Versions

These versions of GPAW-setups are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.