[QE-users] Error while phonon calculation (ph.x)

[Md. Jahid Hasan Sagor]

Hi Lorenzo,

Thank you for your response. But Here I am using GaAs, it's a
semiconductor, but still I am getting the message.

Thanks

Best
Hasan

On Fri, May 24, 2024 at 4:51 PM Lorenzo Bastonero <lbastone at uni-bremen.de>
wrote:

> Hello,
>
> Dielectric constant in metals is “infinite”. There’s no static response to
> a static electric field (you would generate an electric current).
> As such, any long-range correction to the force-constants is not needed in
> metals, if that is the reason why you were trying to compute these
> quantities.
>
> Best,
> Lorenzo
>
> ********************************
> Lorenzo Bastonero
>
> PhD Student
> U Bremen Excellence Chair,
> Bremen Center for Computational Materials Science,
> and MAPEX Center for Materials and Processes
>
> University of Bremen
> Faculty of Production Engineering
> TAB-Building, Room 3.32
> Am Fallturm 1
> 28359 Bremen, DE
>
> http://www.hmi.uni-bremen.de/
>
> Il giorno 24 mag 2024, alle ore 22:20, Md. Jahid Hasan Sagor <
> md.sagor at maine.edu> ha scritto:
>
> Hi Dear QE Experts,
>
> I am trying to calculate second order force constants for GaAs. I
> successfully ran pw.x, but after that when I ran ph.x, I got the following
> error.
>
> *ask # 0 from phq_readin : error # 1 no electric. field with metals*
>
> Input files are attached here. I have used epsil = .true. for phonon
> calculation to calculate born charge and dielectric constant.
> Would you please give some solutions for this?
>
> Best
> Md Jahid Hasan
> Mechanical Engg
> PhD Student
> University of Maine
>
> <ph.in><scf.in>_______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240524/13fa7c0d/attachment.html>