triqs_dft_tools.converters.wannier90.reorder_orbital_and_spin
- triqs_dft_tools.converters.wannier90.reorder_orbital_and_spin(nwfs, wannier_hr, u_total)[source]
Changes order from VASP5 + wannier90 (first all up spin wannier orbitals, then all down spin) to usual order (every up orbital is followed directly by the corresponding down orbital). The order between orbital degrees of freedom is not changed.
- Returns:
- wannier_hrnp.ndarray
The re-ordered wannier real-space Hamiltonian.
- u_totallist of np.ndarray
The re-ordered projection matrix.