[Pw_forum] dos with hybrid calculations

Mohammed Khalafalla mahk74 at gmail.com
Fri Dec 16 19:05:11 CET 2016


Few days back I successfully performed DOS after hybrid scf with
occupations = "tetrahedra". This was the case with QE v. 5.4.0 but not with
v. 5.0.2, I don't know why. You must carefully choose nqx mesh in view of k
points mesh.
Regards
M Khalafalla
Taibah University

On Fri, Dec 16, 2016 at 3:17 PM Tiana Davide <davide.tiana at epfl.ch> wrote:

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> Dear all
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> I know that to calculate band structure for hybrid calculation we need to
> make a scf calculation adding K points with weight 0 in our brillouen zone.
> I was wondering if the same procedure does make sense for DOS or not. If
> not is there a way to calculate
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> DOS with hybrid functional?
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> Cheers
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> Davide
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