5.17.8. operators.O

eminus.operators.O(atoms, W)

Overlap operator.

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.

Returns:

The operator applied on W.