GPAW-setups 24.1.0

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.

Accessing GPAW-setups 24.1.0

To load the module for GPAW-setups 24.1.0 please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load GPAW-setups/24.1.0

BEAR Apps Version

2023a

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two part: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.

More Information

For more information visit the GPAW-setups website.

Required By

This version of GPAW-setups is a direct dependent of: GPAW/23.9.1-foss-2023a

Last modified on 13th November 2024