Spherical harmonics, or more exactly: real combinations of spherical harmonics - PG
On Thu, Sep 12, 2019 at 11:56 AM Tommi Höynälänmaa < [email protected]> wrote: > > What are the angular parts of the beta projectors in QE? Are they > spherical harmonics? When the pseudopotential is in the > Kleinman-Bylander form should the projectors be products of the nonlocal > part of the semilocal potential with the pseudowavefunctions? > > Tommi Höynälänmaa > > M.Sc., Tampere University > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
