: [Pw_forum] GIPAW and spin-density maps
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> On Dec 9, 2009, at 9:01 , Gregor Mali wrote:
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> > Are these reconstructed wavefunctions saved and can they be used by
> > postprocessing routines to generate spin-density maps?
>
> reconstructed wavefunctions are not s
Dear PWscf/GIPAW users,
GIPAW module of QE employs (GI)PAW approach to reconstruct
wavefunctuions in the core region and then calculates different physical
observables that depend a lot on the electronic wavefuction at or close
to the nucleus (e.g. chemical shift, hyperfine coupling, ...).
Are
