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<p>Dear Elie,</p>
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> How do we set the (q1,q2,q3) variables in the turbo_eels.x input to point to that specific path in the Brillouin zone?</div>
> I was thinking that we can set them equal to the coordinates of the k-points along the Gamma -K path</div>
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<p>Correct</p>
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<p>In the documentation it is written:</p>
<p>Variables: q1, q2, q3<br>
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<div>Description: The values of the transferred momentum q = (q1, q2, q3) in Cartesian coordinates in units of 2pi/a, where "a" is the lattice parameter.<br>
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Greetings,
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<p>Iurii<br>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">--<br>
<span style="font-family:Cambria,Georgia,serif">Dr. Iurii TIMROV</span><br>
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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 Elio Physics <Elio-Physics@live.com><br>
<b>Sent:</b> Sunday, May 8, 2022 12:49:39 AM<br>
<b>To:</b> Quantum Espresso users Forum<br>
<b>Subject:</b> [QE-users] An enquiry about momentum transfer in TDDFPT</font>
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Dear all,</div>
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<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
I have a question regarding the momentum transfer q in a TDDFPT calculation. <br>
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<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Let us say I want to calculate how the plasmon peak frequency changes along the Gamma-K path in a hexagonal lattice.</div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
How do we set the (q1,q2,q3) variables in the turbo_eels.x input to point to that specific path in the Brillouin zone?</div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
I was thinking that we can set them equal to the coordinates of the k-points along the Gamma -K path; this would be then equivalent to a momentum transfer between the Gamma point and a specific point along the G-K path. Does this make sense?</div>
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Thanks in advance<br>
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<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Elie A Moujaess</div>
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Adjunct professor</div>
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Federal university of Rondonia</div>
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Porto Velho</div>
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Brazil <br>
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