Octopus

This software is under support tier 3!

Software description

Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.

Homepage: octopus-code.org/wiki/Main_Page

10.1-nsc1-intel-2018a-eb

This is the currently recommended module!

Load with:

[user@system ~]$ module load Octopus/10.1-nsc1-intel-2018a-eb

8.2-nsc1-intel-2018a-eb

Load with:

[user@system ~]$ module load Octopus/8.2-nsc1-intel-2018a-eb