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

[Lorenzo Bastonero]

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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240524/16ebe0b9/attachment.html>