exciting

Software description

exciting is a full-potential all-electron density-functional-theory package implementing the families of linearized augmented planewave methods. It can be applied to all kinds of materials, irrespective of the atomic species involved, and also allows for exploring the physics of core electrons. A particular focus are excited states within many-body perturbation theory.

Homepage: exciting.wikidot.com/

NSC documentation

Available Modules

oxygen-nsc1-intel-2021.3.0-oneapi

Load with:

[user@system ~]$ module load exciting/oxygen-nsc1-intel-2021.3.0-oneapi

nitrogen-nsc1-intel-2018a-eb

Load with:

[user@system ~]$ module load exciting/nitrogen-nsc1-intel-2018a-eb

neon21-hpc1-intel-2023a-eb

Load with:

[user@system ~]$ module load exciting/neon21-hpc1-intel-2023a-eb