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

[Md. Jahid Hasan Sagor]

Dear Vahid,

I have run it with "Fixed" occupations. It works. But usually Isn't it for
insulators (fixed occupation)?

Best
Hasan

On Fri, May 24, 2024 at 5:21 PM Vahid Askarpour <vh261281 at dal.ca> wrote:

> Why not use occupations=‘fixed’?
>
> Cheers,
> Vahid
>
> On May 24, 2024, at 5:53 PM, Md. Jahid Hasan Sagor <md.sagor at 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 <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
>>
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> _______________________________________________
> 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
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