It is not particular strange for 4f systems with many atoms.
The 4f bands are very narrow and if the potential of an atom is shifted
with respect to others by eg. 0.2 Ry, it can easily lead to full (or no)
occupancy of the seven 4f bands.
Most likely, the mixer realized that he was pushing too
Dear all,
I calculate systems with f-electrons, and have noticed some strange
convergence during the cycles (not once and not in one system).
In the first, second, forth iterations the filling of the f-bands is
rather reasonable, but what happens in the 3,5,6 ites with the down charge?
1ite
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