5.14.4. localizer.get_R

eminus.localizer.get_R(atoms, psi, fods)

Calculate transformation matrix to build Fermi orbitals.

Reference: J. Chem. Phys. 153, 084104.

Parameters:

• atoms – Atoms object.

• psi – Set of orbitals in reciprocal space.

• fods – Fermi-orbital descriptors.

Returns:

Transformation matrix R.