Dear Nia,
projwfc.x does the projections on the atomic states included in the
pseudopotential, that do not necessarily coincide with filled states.
You can check the UPF file you used, for example in
http://pseudopotentials.quantum-espresso.org/upf_files/Au.pbe-n-rrkjus_psl.1.0.0.UPF
you can see that 6P states are present (with 0 occupation).
Redistribution of electronic density into other nl-states is expected as
the environment changes from that of the free atom. You may try to redo
the calculation for an single Au atom in a big unit cell (mimicking the
free atom) to check what the 6P occupation becomes.
Kind regards,
Guido
--
Guido Fratesi
Dipartimento di Fisica ``Aldo Pontremoli''
Universita` degli Studi di Milano
Via Celoria 16, 20133 Milano, Italy
web: https://sites.google.com/site/guidofratesi/
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