[Pw_forum] Fermi energy in 'scf' and 'nscf'
Paolo Giannozzi
giannozz at nest.sns.it
Wed Jun 6 09:30:39 CEST 2007
On Jun 5, 2007, at 22:43 , Jess Kondor wrote:
> I performed 'scf' and 'nscf' calculations with 'm-v' smearing
> method. In the end of both calculations, the Fermi energy is the
> same. But if these calculations are performed using 'tetrahedra',
> Fermi levels are different ( 5.05 eV from 'scf' and 3.86 eV from
> 'nscf'). Is it normal?
are the grid for scf and nscf the same? are you getting the same
Kohn-Sham eigenvalues?
P.
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Paolo Giannozzi, Democritos and University of Udine, Italy
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