5.13.4. localizer.get_R

eminus.localizer.get_R(atoms, psi, fods)[source]

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.