grogupy._core.build_hh_ss

grogupy._core.build_hh_ss(dh: Hamiltonian) → tuple[ndarray[Any, dtype[_ScalarType_co]], ndarray[Any, dtype[_ScalarType_co]]]

It builds the Hamiltonian and Overlap matrix from the sisl.dh class.

It restructures the data in the SPIN BOX representation, where NS is the number of supercells and NO is the number of orbitals.

Parameters

dh: sisl.physics.Hamiltonian

Hamiltonian read in by sisl

Returns

hh: (NS, NO, NO) NDArray

Hamiltonian in SPIN BOX representation

ss: (NS, NO, NO) NDArray

Overlap matrix in SPIN BOX representation