5.17.6. operators.L

eminus.operators.L(atoms, W, ik=-1)[source]

Laplacian operator with k-point dependency.

This operator acts on options 3 and 5.

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.

Returns:

The operator applied on W.