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<p>Dear Akhil,</p>
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<p>First you need to decide |q| and the direction of q. Say you want q = 0.15 A^{-1} along [100] for diamond. Then you need to specify it as q = (2*pi/a) (q1, q2, q3), where a is the lattice parameter in A. By doing some math you can easily determine the values
of q1, q2, and q3. <br>
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<p>HTH</p>
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<p>Iurii<br>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">--<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 Akhil g.nair via users <users@lists.quantum-espresso.org><br>
<b>Sent:</b> Tuesday, September 5, 2023 7:12:47 AM<br>
<b>To:</b> Quantum ESPRESSO Users Forum<br>
<b>Subject:</b> [QE-users] How to decide q1, q2, and q3?? turbo_eels.x</font>
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<div dir="ltr" data-setdir="false">Dear Sir/Madam,</div>
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<div dir="ltr" data-setdir="false">Please help me decide how we should fix the q1, q2, and q3 of the transferred momentum Q while using
<span>turbo_eels.x</span>? I know that it should be in units of 2pi/a. So, in that case, whether q1 = 2pi/a, q2 = 2pi/b, and q3 = 2pi/c? And a, b, and c should be angstroms or alat units???<br>
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<div dir="ltr" data-setdir="false">Regards</div>
<div dir="ltr" data-setdir="false">Akhil</div>
<div dir="ltr" data-setdir="false">HBNI, India</div>
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