[QE-users] Linewidths

[Annam, Roshan Sameer]

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
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From: users <users-bounces at lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <lorenzo.paulatto at cnrs.fr>
Sent: Wednesday, August 20, 2025 10:38:13 AM
To: users at lists.quantum-espresso.org <users at 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
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From: users <users-bounces at lists.quantum-espresso.org><mailto:users-bounces at lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <lorenzo.paulatto at cnrs.fr><mailto:lorenzo.paulatto at cnrs.fr>
Sent: Tuesday, August 19, 2025 2:25:48 AM
To: users at lists.quantum-espresso.org<mailto:users at lists.quantum-espresso.org> <users at lists.quantum-espresso.org><mailto: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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