Hello,
I'm not 100% sure what was the state of the code in the 7.1 release of
QE, maybe you had to enable the option with a specific flag, and I
cannot check now as I don't have access to my desktop PC where I have a
pre-compiled copy of all releases. However, 7.1. should be sufficiently
close that you can compile the current git version of the code in tandem
with it, just clone the git repository inside QE then move to it and run
"make". It definitely does produce thos files now, I have just updated
the Silicon example to reflet this.
hth
On 20/08/2025 19:57, Annam, Roshan Sameer wrote:
Hi Dr. Paulatto,
Thank you for your quick response, I will look into that module file
and look at the equation.
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-boun...@lists.quantum-espresso.org> on behalf of
Lorenzo Paulatto <lorenzo.paula...@cnrs.fr>
*Sent:* Wednesday, August 20, 2025 10:38:13 AM
*To:* users@lists.quantum-espresso.org <users@lists.quantum-espresso.org>
*Subject:* Re: [QE-users] Linewidths
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
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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-boun...@lists.quantum-espresso.org>
<mailto:users-boun...@lists.quantum-espresso.org> on behalf of
Lorenzo Paulatto <lorenzo.paula...@cnrs.fr>
<mailto:lorenzo.paula...@cnrs.fr>
*Sent:* Tuesday, August 19, 2025 2:25:48 AM
*To:* users@lists.quantum-espresso.org
<mailto:users@lists.quantum-espresso.org>
<users@lists.quantum-espresso.org>
<mailto:users@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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External Email
ZjQcmQRYFpfptBannerEnd
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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IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN
phone: +33 (0)1 442 79822 / telegram: lpaulatto
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phone: +33 (0)1 442 79822 / telegram: lpaulatto
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