libvdwxc 0.4.0-foss-2023a

libvdwxc is a general library for evaluating energy and potential for exchange-correlation (XC) functionals from the vdW-DF family that can be used with various of density functional theory (DFT) codes.

Accessing libvdwxc 0.4.0-foss-2023a

To load the module for libvdwxc 0.4.0-foss-2023a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load libvdwxc/0.4.0-foss-2023a

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 libvdwxc website.

Dependencies

This version of libvdwxc has a direct dependency on: foss/2023a

Required By

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

Last modified on 13th November 2024