[QE-users] LO-TO splitting for Phonon DOS

[Paolo Giannozzi]

On Tue, Sep 22, 2020 at 9:30 AM Jakob Kraus <
jakob.kraus at physik.tu-freiberg.de> wrote:

Moreover, I've noticed that, even though I've set epsil = .false. for
> the phonon calculation for a metal, the ph.x code seems to calculate a
> (wrong) dielectric tensor if ldisp = .true.
>
> Does ldisp somehow override epsil in this case?
>

not for metals, only for insulators ("metal" = "with broadening or
tetrahedra"). It was clarified a few days ago:
https://gitlab.com/QEF/q-e/-/commit/52d65b3cdbcc578c5e637082f5b82375471a242f

Paolo

>
> Thank you very much in advance for your time and effort.
>
> It is very much appreciated.
>
>
> Best regards,
>
>
> Jakob Kraus
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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