[Pw_forum] How can I get more than one projetions for an all electron KS wave function calculation

[Paolo Giannozzi]

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
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Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222