5.18.1. operators.I

eminus.operators.I(atoms, W, ik=-1, norm='forward')

Backward transformation from reciprocal space to real-space.

This operator acts on the options 3, 4, 5, and 6.

Reference: Comput. Phys. Commun. 128, 1.

Parameters:

• atoms – Atoms object.

• W – Expansion coefficients of unconstrained wave functions in reciprocal space.

Keyword Arguments:

• ik – k-point index.

• norm – Normalization mode.

Returns:

The operator applied on W.