vibeqc.run_rhf_periodic_gamma_gdf

vibeqc.run_rhf_periodic_gamma_gdf(system, basis, options=None, *, functional=None, aux_basis=None, aux_drop_eta=0.0, linear_dep_threshold=1e-07, gdf_linear_dep_threshold=1e-09, apply_modrho=True, gdf_algorithm='bare', rsgdf_omega=0.4, fock_mixing=None, level_shift_warmup_cycles=None, symmetry_stabilize=False, symmetry_reduce_fock=False, progress=None, verbose=None)[source]

Run Γ-only closed-shell periodic RHF/RKS via native GDF.

Parameters mirror the older target API, but the implementation is now entirely vibe-qc owned. If functional is provided, the driver adds native libxc V_xc on the periodic/molecular Becke grid and uses the functional’s exact-exchange fraction for hybrids.

Parameters:

  • system (vibeqc._vibeqc_core.PeriodicSystem)

  • basis (vibeqc._vibeqc_core.BasisSet)

  • options (vibeqc._vibeqc_core.PeriodicRHFOptions | vibeqc._vibeqc_core.PeriodicKSOptions | None)

  • functional (str | None)

  • aux_basis (str | None)

  • aux_drop_eta (float)

  • linear_dep_threshold (float)

  • gdf_linear_dep_threshold (float)

  • apply_modrho (bool)

  • gdf_algorithm (str)

  • rsgdf_omega (float)

  • fock_mixing (float | None)

  • level_shift_warmup_cycles (int | None)

  • symmetry_stabilize (bool)

  • symmetry_reduce_fock (bool)

  • progress (bool | ProgressLogger | None)

  • verbose (int | None)

Return type:

PeriodicRHFGDFResult