Dear Wien2k users, I am trying to calculate orbital character of energy bands 10eV above Fermi level under GGA approximation. Though I know GGA approx. can not give me accurate bands at such high energy levels. I do not need very accurate bands. Can anyone please tell me if somehow under GGA approx. I can get band character at 10eV above Fermi level? I increased the emax in case.in1 to include more bands and calculated case.qtlup/dn. case.qtlup/dn contains band character only upto valence band orbital, for example, d orbital.
So please suggest me some way . Thanking you, Santu Baidya University of Duisburg-Essen Germany
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