gem.lattice.Lattice.fit_mu_fragment

Lattice.fit_mu_fragment(n_target, Fragments_list, T=0.01, nsteps=10, dmu0=0.01, ntol=0.0001, mu_old=0.0)

Procedure to fit the chemical potential from the fragment problem.

Parameters:

• n_target – float. Target filling.

• Fragments_list – List of Fragment objects that contain the self-energies.

• T – float, optional. Electronic temperature (default: 0.0).

• nsteps – int, optional. Maximum number of steps for fitting (default: 10).

• dmu0 – float, optional. Initial step size for chemical potential adjustment (default: 1e-2).

• ntol – float, optional. Tolerance on the filling for convergence (default: 1e-4).

• mu_old – float, optional. Previous chemical potential, to help the search (default: 0.0).