[Pw_forum] projwfc partially occupied levels above Fermi level

[Christoph Wolf]

Dear Carlo and Warren!

Thanks for your replies which were very helpful! The system is an MgO
supercell (64 atoms) with a substitution of a single Fe. I am trying to
figure out what changes when the Fe moves from a bulk position to a surface
(adatom) and the pdos of the bulk was giving me a headache! ;)

Thank you both for your help!

Best,
Chris

-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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