pengwann.geometry.Geometry.wannier_assignments

property geometry.Geometry.wannier_assignments

Assign Wannier centres to atoms based on a closest distance criterion.

The indices returned by this property refer to the order of sites in the calling Geometry object. Each Wannier centre is associated with a single index identifying its closest atom whilst each atom is associated with a sequence of indices identifying all of its assigned Wannier centres.

Returns:

wannier_assignmentstuple of tuple of int

The indices assigning Wannier centres to atoms.

Notes

This property is cached after it has been evaluated once.