What you describe looks exactly the same as the "PAW reconstruction". PAW invariably uses more than one projector per angular momentum l.
P. On Mon, 2013-06-17 at 16:42 -0400, Barmparis, Georgios D. wrote: > Dear All, > > I want to do a calculation using the all electron Kohn-Sham wave function > |psi>, where |psi> = |KS> + \sum_i (|phiAE> - |phiPS>)<Pi|KS>. > In order to get an accurate enough result, I need more than one projection > <Pi|KS> for each atomic state, i. Is there any way to obtain that information > using QE codes? > > Thank you in advance for your time, > Georgios Barmparis > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
