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
