[QE-users] Linewidths

Annam, Roshan Sameer anna0003 at ou.edu
Tue Aug 19 18:55:10 CEST 2025


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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