[QE-users] Linewidths
Lorenzo Paulatto
lorenzo.paulatto at cnrs.fr
Wed Aug 20 17:38:13 CEST 2025
Thank you for letting me know, I've not reviewed the doc in a while, and
those factors 1/2 are pesky. If you check the recompute_sam.m script in
tool/ there is the equation explicitly written down in a relatively easy
to understand form.
On 19/08/2025 18:55, Annam, Roshan Sameer wrote:
> Hi,
>
> Thank you for your quick response.
>
> I was going through thermals 2 documentation in the D3Q package
> folder, where under the d3_tk.x code documentation in the header where
> it describes output files, it says that the output file with lw_ will
> give full width half maximum line widths.
>
> So, I am still a little confused. Any clarification is greatly
> appreciated.
>
> Sincerely,
> Roshan Sameer Annam
> Co-Chair - Graduate Student Community (GSC)
> Graduate Teaching and Research Assistant
> Micro/Nano Heat Transfer Lab
> School of Aerospace and Mechanical Engineering
> University of Oklahoma
> ------------------------------------------------------------------------
> *From:* users <users-bounces at lists.quantum-espresso.org> on behalf of
> Lorenzo Paulatto <lorenzo.paulatto at cnrs.fr>
> *Sent:* Tuesday, August 19, 2025 2:25:48 AM
> *To:* users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
> *Subject:* Re: [QE-users] Linewidths
> I was wondering if anyone can help me understand if the linewidths
> computed this way represents full width half maximums or half width
> half maximums. Hello, they are the imaginary part of the self energy,
> i. e. half-width half-maximum. The lifetime
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>>
>> I was wondering if anyone can help me understand if the linewidths
>> computed this way represents full width half maximums or half width
>> half maximums.
>
>
> Hello, they are the imaginary part of the self energy, i.e. half-width
> half-maximum. The lifetime is tau=1/(2 lw)
>
> kind regards.
>
>
>>
>> Your help is greatly appreciated.
>>
>> Sincerely,
>> Roshan Sameer Annam
>> Co-Chair - Graduate Student Community (GSC)
>> Graduate Teaching and Research Assistant
>> Micro/Nano Heat Transfer Lab
>> School of Aerospace and Mechanical Engineering
>> University of Oklahoma
>>
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> --
> Dr. Lorenzo Paulatto
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--
Dr. Lorenzo Paulatto
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN
phone: +33 (0)1 442 79822 / telegram: lpaulatto
http://www.impmc.upmc.fr/~paulatto/ - https://anharmonic.github.io/
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