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Dear Prof Blaha and wien2k users,
I have a problem in understanding case.scf files due to two different :GAP
values in each SCF iteration.
I am trying to calculate electron states in Europium doped oxides and sulfides
using the supercell method and spin-polarized GGA(+U) functional.
SCF
I believe that there is no gap in your case. It is just simply one (GAP) for
spin up and one (no GAP) for spin down.
===
Dr. Khuong P. Ong
Research Scientist
Optics and Transport (Team Leader)
Materials Science Engineering Department
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