It is rather clear that by such large U values you will drive every
system into a localized state, and will never have the 4f states at Ef.
lstart has NOTHING to do with your final solution. It only provides a
starting density for the scf cycle.
Of course, by adapting your computational
Dear Prof. Blaha and Wien2k user,
I have been trying to calculate DOS of a Eu based mixed valence system
using GGA+U approximation. I have used U = 8eV, as a standard value for an
Eu ion.
Experimentally the compound is known as a mixed valence system with
valence of Eu = 2.5 (in between 2+ and 3+)
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