5.7.4. dft.get_epsilon

eminus.dft.get_epsilon(scf, W, **kwargs)

Calculate eigenvalues from H.

Reference: Comput. Phys. Commun. 128, 1.

Parameters:

• scf – SCF object.

• W – Expansion coefficients of unconstrained wave functions in reciprocal space.

Keyword Arguments:

**kwargs – See H().

Returns:

Eigenvalues.