vibeqc.localize_aiccm2026dev_b_occupied¶

vibeqc.localize_aiccm2026dev_b_occupied(result, system, basis, mesh=None, *, method='wannier', iao_reference_basis='ano-rcc-mb', **kwargs)[source]¶

Localize the converged occupied space of an AICCM2026DEV-B SCF.

The returned real-torus coefficients are suitable for PAO/domain construction. The function rejects unconverged references and metallic manifolds; disentanglement remains a later extension.

Parameters:

result (object)
system (vibeqc._vibeqc_core.PeriodicSystem)
basis (vibeqc._vibeqc_core.BasisSet)
mesh (int | Sequence[int] | None)
method (str | AICCM2026DevBLocalizationMethod)
iao_reference_basis (str)

Return type:

AICCM2026DevBLocalizationResult