5.9.6. energies.get_Eentropy¶

eminus.energies.get_Eentropy(scf, epsilon, Efermi)[source]¶

Calculate the fillings entropic energy.

Reference: J. Phys. Condens. Matter 1, 689.

Parameters:

scf – SCF object.
epsilon – Eigenenergies.
Efermi – Fermi energy.

Returns:

Entropic energy in Hartree.