Tutorials

These tutorials introduce sisl, from tight-binding Hamiltonians to electronic structure calculations and the analysis of Siesta calculations. To create geometries, start with the quickstart tutorials.

All examples assume this header:

import numpy as np
import sisl as si

to enable numpy and sisl.

Geometries and electronic structure

• From a geometry to a Hamiltonian
• Electronic structure calculation – a walk-through
• Berry phase calculation for graphene
• Selecting atoms with categories
• Anomalous Hall conductivity (AHC) for graphene

Siesta/TranSiesta support

sisl was initiated around the Siesta/TranSiesta code. The sisl+TBtrans+TranSiesta tutorial here is very educational.

If you use sisl as an analysis tool for Siesta, follow these tutorials:

• Siesta — the H2O molecule
• Siesta — graphene