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<p>Hello,</p>
<p>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.</p>
<p>hth<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 20/08/2025 19:57, Annam, Roshan
Sameer wrote:<br>
</div>
<blockquote type="cite"
cite="mid:SN6PR03MB3552C7172995246A4D49D5F1B933A@SN6PR03MB3552.namprd03.prod.outlook.com">
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Hi Dr. Paulatto,</div>
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<br>
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Thank you for your quick response, I will look into that module
file and look at the equation. </div>
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<span style="line-height: 1.5;">Sincerely,</span></div>
<div dir="ltr"
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Roshan Sameer Annam</div>
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Co-Chair - Graduate Student Community (GSC)</div>
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Graduate Teaching and Research Assistant</div>
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Micro/Nano Heat Transfer Lab</div>
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School of Aerospace and Mechanical Engineering</div>
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<span style="line-height: 1.5;">University of Oklahoma</span></div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif"
style="font-size:11pt" color="#000000"><b>From:</b> users
<a class="moz-txt-link-rfc2396E" href="mailto:users-bounces@lists.quantum-espresso.org"><users-bounces@lists.quantum-espresso.org></a> on behalf of
Lorenzo Paulatto <a class="moz-txt-link-rfc2396E" href="mailto:lorenzo.paulatto@cnrs.fr"><lorenzo.paulatto@cnrs.fr></a><br>
<b>Sent:</b> Wednesday, August 20, 2025 10:38:13 AM<br>
<b>To:</b> <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-rfc2396E" href="mailto:users@lists.quantum-espresso.org"><users@lists.quantum-espresso.org></a><br>
<b>Subject:</b> Re: [QE-users] Linewidths</font>
<div> </div>
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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</div>
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<p>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.<br>
</p>
<div class="x_moz-cite-prefix">On 19/08/2025 18:55, Annam,
Roshan Sameer wrote:<br>
</div>
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Hi,</div>
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<br>
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Thank you for your quick response.</div>
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<br>
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<div dir="ltr"
style="font-family:Aptos,Aptos_MSFontService,-apple-system,Roboto,Arial,Helvetica,sans-serif; font-size:12pt">
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.</div>
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So, I am still a little confused. Any clarification is
greatly appreciated.</div>
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<span style="line-height:1.5">Sincerely,</span></div>
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Roshan Sameer Annam</div>
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Co-Chair - Graduate Student Community (GSC)</div>
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<div dir="ltr"><span
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of Oklahoma</span><br>
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style="font-size:11pt"><b>From:</b> users
<a class="x_moz-txt-link-rfc2396E"
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<users-bounces@lists.quantum-espresso.org></a> on
behalf of Lorenzo Paulatto <a
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<lorenzo.paulatto@cnrs.fr></a><br>
<b>Sent:</b> Tuesday, August 19, 2025 2:25:48 AM<br>
<b>To:</b> <a
class="x_moz-txt-link-abbreviated moz-txt-link-freetext"
href="mailto:users@lists.quantum-espresso.org"
moz-do-not-send="true">
users@lists.quantum-espresso.org</a> <a
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<users@lists.quantum-espresso.org></a><br>
<b>Subject:</b> Re: [QE-users] Linewidths</font>
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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</div>
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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.</div>
</blockquote>
<p><br>
</p>
<p>Hello, they are the imaginary part of the self energy,
i.e. half-width half-maximum. The lifetime is tau=1/(2 lw)</p>
<p>kind regards.<br>
</p>
<p><br>
</p>
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Roshan Sameer Annam</div>
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<pre class="x_x_moz-quote-pre">_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
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<div class="x_x_moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN <br>
phone: +33 (0)1 442 79822 / telegram: lpaulatto<br>
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<fieldset class="x_moz-mime-attachment-header"></fieldset>
<pre class="x_moz-quote-pre">_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (<a
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<div class="x_moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN <br>
phone: +33 (0)1 442 79822 / telegram: lpaulatto<br>
<a
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</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre wrap="" class="moz-quote-pre">_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN <br>
phone: +33 (0)1 442 79822 / telegram: lpaulatto<br>
<a href="http://www.impmc.upmc.fr/~paulatto/"
class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/"
class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05<small></small></small></div>
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