5.17.5. operators.K¶

eminus.operators.K(atoms, W, ik)[source]¶

Preconditioning operator with k-point dependency.

This operator acts on options 3 and 5.

Reference: Comput. Mater. Sci. 14, 4.

Parameters:

atoms – Atoms object.
W – Expansion coefficients of unconstrained wave functions in reciprocal space.
ik – k-point index.

Returns:

The operator applied on W.