Octopus

Last modified by alldritt@helsinki_fi on 2024/02/07 06:22

About Octopus

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.

  • (DFT, TDDFT): XANES, Valence excitations

Website: http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page

Latest version: v4.1.2

Documentation

All documentation can be found in the Documentation section of the Octopus website. Help files, installation notes, user guides, and additional information is available there. Additional notes will be found here.

Compiling and Installing Octopus

Platforms

Source Code Access

Full source code is available on the Octopus website in the Releases section.