Ground state
- 1D Harmonic Oscillator The standard textbook harmonic oscillator in one dimension with two non-interacting electrons.
- Getting started Learn how to run the code
- Getting started with periodic systems How to perform some basic calculation using bulk silicon as an example.
- Basic input options Obtain the ground state of the nitrogen atom.
- Kohn-Sham inversion Kohn-Sham inversion with two particles.
- Particle in a box The classic quantum problem of a particle in a box.
- Wires and slabs Use the flexibility of the real-space grid to treat systems that are periodic in only one or two dimensions.
- 1D Helium The helium atom in one dimension which also has two electrons.
- Jellium and jellium slabs Getting the electron density of a homogeneous electron gas, and of a jellium slab.
- Parallelization in octopus Learn about the different strategies.
- Total energy convergence Make sure that the results are converged
- Band structure unfolding How to get the bandstructure of a supercell.
- Particle in an octopus 2D systems where the shape of the simulation box is defined by an image file.
- Visualization Example: Benzene
- Kronig-Penney Model Calculate the bandstructure for Kronig-Penney Model.
- All-electron calculations
- Large systems: the Fullerene molecule How to set up calculations for larger systems.
- Polarizable Continuum Model Calculate the solvation energy of the Hydrogen Fluoride molecule in water solution.
- RDMFT How to do a Reduced Density Matrix Functional Theory (RDMFT) calculation.
- Self-interaction correction schemes
- Wannier90 Using the Wannier90 interface.