risb.kweight.from_triqs_hartree module

risb.kweight.from_triqs_hartree.fermi(e, beta)

Numerically stable version of the Fermi function.

Parameters:

• e (float or ndarray) – Energy minus chemical potential

• beta (float) – Inverse temperature

risb.kweight.from_triqs_hartree.update_mu(n_target, energies, beta, n_k, smear_function)

Update the chemical potential using scipy.optimize.brentq() for smearing k-space integrations.

Parameters:

• n_target (float) – Filling target

• energies (numpy.ndarray) – Array of eigenenergies

• beta (float) – Inverse temperature

• n_k (int) – Number of unit cells on lattice

• smear_function – The function that smears the energy at each k-point.