5.18.5. orbitals.WO

eminus.orbitals.WO(scf, write_cubes=False, precondition=True)

Generate Wannier orbitals and optionally save them as CUBE files.

Reference: Phys. Rev. B 59, 9703.

Parameters:

scf – SCF object.

Keyword Arguments:

• write_cubes – Write orbitals to CUBE files.

• precondition – Precondition by calculating SCDMs as the initial guess.

Returns:

Real-space Wannier orbitals.