vibeqc.run_aiccm2026dev_b_uks

vibeqc.run_aiccm2026dev_b_uks(system, basis, functional, lattice_extension=None, options=None, *, mesh=None, wigner_seitz_shells=None, backend=AICCM2026DevBBackend.FOUR_CENTER, aux_basis=None, gdf_method='rsgdf', fit_source='auto', support_policy=None, coulomb_controls=None, xc_controls=None, ks_reference=None, initial_density_k=None, gdf_linear_dep_threshold=1e-09, rsgdf_ke_cutoff=200.0, rsgdf_tail_ke_cutoff=None, mdf_ke_cutoff=40.0, fock_mixing=None, symmetry_mode=AICCM2026DevBSymmetryMode.OFF, symmetry_precision=1e-05, symmetry_require_full_group=False, progress=None, verbose=None)

Minimize the finite-torus spin-polarized Kohn–Sham functional.

Parameters:

• system (PeriodicSystem)

• basis (BasisSet)

• functional (str)

• lattice_extension (int | Sequence[int] | None)

• options (PeriodicKSOptions | None)

• mesh (int | Sequence[int] | None)

• wigner_seitz_shells (int | Sequence[int] | None)

• backend (str | AICCM2026DevBBackend)

• aux_basis (str | None)

• gdf_method (str)

• fit_source (str)

• support_policy (str | None)

• gdf_linear_dep_threshold (float)

• rsgdf_ke_cutoff (float)

• rsgdf_tail_ke_cutoff (float | None)

• mdf_ke_cutoff (float)

• fock_mixing (float | None)

• symmetry_mode (str | AICCM2026DevBSymmetryMode)

• symmetry_precision (float)

• symmetry_require_full_group (bool)

• progress (bool | ProgressLogger | None)

• verbose (int | None)

Return type:

PeriodicKUHFGDFResult | PBCBipoleUKSResult