[QE-users] Angular parts of beta projectors

[Tommi Höynälänmaa]

On 17.9.2019 19.00, Paolo Giannozzi wrote:
> Spherical harmonics, or more exactly: real combinations of spherical 
> harmonics - PG
>
>

Suppose that we compute a pseudopotential for sodium and use a projector 
with l=2 (e.g. 3d) in that. Is the projector orthogonal to all the 
occupied orbitals of sodium (because of the orthonormality of the 
spherical harmonics)? If we compute the orbitals and energies of sodium 
atom using that pseudopotential does the contribution of the 3d 
projector into the nonlocal potential vanish?

Tommi Höynälänmaa

M.Sc., Tampere University