otter.experimental.solve_sc_feedback_workflow
- otter.experimental.solve_sc_feedback_workflow(workflow_cfg: PlasmaWorkflowConfig, is_workflow: dict[str, Any], *, feedback_cfg: SCFeedbackConfig | None = None) dict[str, Any][source]
Continue one converged IS workflow to an SC AA <-> QOZ/HNC solution.
The IS chemical potential and, for mixtures, the IS volume partition are held fixed. Every mixture AA receives the full charge-weighted
g_ijbackground rather than only its diagonal channel. Both the orbital Kohn–Sham and Thomas–Fermi electronic backends use the same Starrett–Saumon (2014), Sec. 2.4 coupling: Eqs. (19)–(20) constructV_Ie^C, the QOZ/HNCg_IIreplaces the ion-sphere step in Eqs. (4)/(7), and the IS chemical potential remains fixed.
