5.53.1. extras.torch.I¶

eminus.extras.torch.I(atoms, W, ik=-1)[source]¶

Backwards transformation from reciprocal space to real-space.

Parameters:

atoms – Atoms object.
W – Expansion coefficients of unconstrained wave functions in reciprocal space.

Keyword Arguments:

ik – k-point index.

Returns:

The operator applied on W.