vibeqc.run_rhf_periodic_gamma¶
- vibeqc.run_rhf_periodic_gamma(system, basis, options=None, *, dft_plus_u=None)[source]¶
Γ-only closed-shell RHF for a periodic system (molecular-limit regime).
The Γ-only periodic SCF carries a single real
Eigen::MatrixXddensity and AO overlap – same shape as the molecular case – so the +U kernel is reused unchanged.optionsis aPeriodicRHFOptions;dft_plus_uis a list ofHubbardSiteobjects (per-atom (atom_index, l, U_ev) channels). For multi-k +U userun_rks_periodic()(closed-shell KS, Increment 4c) orrun_periodic_job— its auto jk_method runs closed-shell multi-k +U natively on the GDF drivers.