[Pw_forum] why are there two Fermi energies?

Paolo Giannozzi giannozz at democritos.it
Thu Apr 21 12:32:20 CEST 2011

On Thu, 2011-04-21 at 11:28 +0200, Gabriele Sclauzero wrote:

> Yes, I know there have been some changes in the last versions. 
> I think Paolo can be more helpful here.

I don't think so. There are no substantial differences in the
last version wrt the previous one in this case. I do not see 
anything anomalous in Eduardo's results, by the way. The
results with constrained and unconstrained magnetizations
are the same => the constrained-magnetization result is the
ground state. The "two Fermi energies" of the constrained 
case need not to be exactly the same as the (single)
Fermi energy of the unconstrained case, as long as the
occupancies for spin-up and spin-down are the same in the
two cases.

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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