5.7.11. dft.get_psi¶

eminus.dft.get_psi(scf, W, **kwargs)[source]¶

Calculate eigenstates 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:

Eigenstates in reciprocal space.