On Oct 6, 2012, at 12:53 , Sakhrawi Taoufek wrote:
> E_F=14.88 eV (expected value must be between 1 and 5 eV)
you haven't read the FAQ, have you?
http://www.quantum-espresso.org/?page_id=364#6.9
P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208
Objet?: Re: [Pw_forum] Fermi level too large
the value of starting magnetization is used to brake the up/dw symmetry? in the
charge density but the code then find a self-consistent solution so if there
aren't many different minima the final value of the total magnetization should
be indepe
the value of starting magnetization is used to brake the up/dw symmetry
in the charge density but the code then find a self-consistent solution
so if there aren't many different minima the final value of the total
magnetization should be independent from it.
the Fermi energy is what it has to b
Dear all
I try to do dos calculation for FeRh ferromagnetic. Itried with different
values ??starting_magnetization to reach the expected value of
total_magnetization,
the problem is that when we get to do there is a value of the Fermi energy very
large compared to the expected.
Thinks
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