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Hi Dr. Paulatto,</div>
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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>
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Roshan Sameer Annam</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 <users-bounces@lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <lorenzo.paulatto@cnrs.fr><br>
<b>Sent:</b> Wednesday, August 20, 2025 10:38:13 AM<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] Linewidths</font>
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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>
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Hi,</div>
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Thank you for your quick response.</div>
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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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<div dir="ltr"><span style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:black; line-height:1.5">University of Oklahoma</span><br>
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<users-bounces@lists.quantum-espresso.org></a> on behalf of Lorenzo Paulatto <a class="x_moz-txt-link-rfc2396E" href="mailto:lorenzo.paulatto@cnrs.fr">
<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" href="mailto:users@lists.quantum-espresso.org">
users@lists.quantum-espresso.org</a> <a class="x_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>
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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>
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<p><br>
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<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>
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Your help 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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<pre class="x_x_moz-quote-pre">_______________________________________________________________________________
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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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<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 class="x_moz-txt-link-abbreviated" href="https://urldefense.com/v3/__http://www.max-centre.eu__;!!GNU8KkXDZlD12Q!4p8s8irFJWyRksQ1GkIqwib8uuWnOP778uzuE1UdeBTxZU4hksyd2xIk8ipv4t21v033WfTrenBluaPl0gV-Sgt9Okj1$">www.max-centre.eu</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>
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