• Francois Gygi's avatar
    First RSH implementation · ccd020c0
    Francois Gygi authored
    RSH is implemented as a separate functional (so far).
    New variables alpha_RSH, beta_RSH and mu_RSH are added. There is
    still duplicated code with HSEFunctional and PBEFunctional.
    The InteractionPotential class is removed and ExchangeOperator is
    modified to implement the interaction potential depending on the
    parameters alpha_RSH, beta_RSH and mu_RSH.
    Functionality needs testing for HF and all hybrid functionals.
HSEFunctional.C 34.6 KB