Using the tight binding module from Python

Atomistica's ASE interface exposes a simplified interface to the tight-binding module that can be used for calculations that do not require charge self-consistency. The parameter width determines the electronic temperature. There is an additional parameter database_folder that can be used to specify the location of the Slaster-Koster database. The default is to use the current folder.

from atomistica import TightBinding
...
c = TightBinding(width=0.01)
a.set_calculator(c)
...