5.54.1. extras.torch.I

eminus.extras.torch.I(atoms, W, ik=-1)

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.