Why not use occupations=‘fixed’?

Cheers,
Vahid

On May 24, 2024, at 5:53 PM, Md. Jahid Hasan Sagor <md.sa...@maine.edu> wrote:

CAUTION: The Sender of this email is not from within Dalhousie.
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 
<lbast...@uni-bremen.de<mailto:lbast...@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.sa...@maine.edu<mailto:md.sa...@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

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