vibeqc.band_structure_hcore

vibeqc.band_structure_hcore(system, basis, kpath, *, lattice_opts=None, n_electrons_per_cell=None)

Non-interacting (Hcore) band structure: eigenvalues of T + V at every k-point. Useful for system-shape sanity checks before investing in a full SCF.

Parameters:

• system (vibeqc._vibeqc_core.PeriodicSystem)

• basis (vibeqc._vibeqc_core.BasisSet)

• kpath (KPath)

• lattice_opts (vibeqc._vibeqc_core.LatticeSumOptions | None)

• n_electrons_per_cell (int | None)

Return type:

BandStructure