pythtb.W90.shells

W90.shells(num_digits=2)

Get all shells of distances between Wannier function centers.

This is one of the diagnostic tools that can be used to help in determining max_distance parameter in pythtb.w90.model() function call.

Parameters:

num_digitsint

Distances will be rounded up to these many digits. Default value is 2.

Returns:

shellslist

All distances between all Wannier function centers (i and j+R) in Angstroms.

Examples

Print all shells

>>> print(silicon.shells())