Tutorials

sisl is shipped with these tutorials which introduces the basics.

All examples are assumed to have this in the header:

import numpy as np
from sisl import *

to enable numpy and sisl.

Below is a list of the current tutorials:

• Electronic structure calculation – a walk-through
• Berry phase calculation for graphene

Siesta/TranSiesta support

sisl was initiated around the Siesta/TranSiesta code. And it may be very educational to look at the sisl+TBtrans+TranSiesta tutorial located here.

If you plan on using sisl as an analyzation tool for Siesta you are highly recommended to follow these tutorials:

• Siesta — the H2O molecule
• Siesta — graphene

Deprecated tutorials

Once everything has been moved to the IPython notebook notation, these tutorials will be removed. Until that happens they are located here for consistency:

• Geometry creation -- part 1
• Geometry creation -- part 2
• Supercells
• Electronic structure setup -- part 1
• Electronic structure setup -- part 2