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Dear Chiara,</div>
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<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Thank you for your response. So basically, the first, 3rd, and 5th columns constitute the real parts, whereas the 2nd, 4th, and 6th are imaginary parts.</div>
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<span><span>Regards <br>
</span></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 Chiara Cignarella via users <users@lists.quantum-espresso.org><br>
<b>Sent:</b> Thursday, January 25, 2024 12:51 PM<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] The phonon mode eigenvector produced by matdyn.x</font>
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<div dir="auto">Dear Dr. Elie Moujaes,
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<div dir="ltr">No, it should be the first column real part of x, second column real part of x, third and fourth real and imaginary part of y, and so on..</div>
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<div dir="ltr">Best regards </div>
<div dir="ltr">Chiara Cignarella</div>
<div dir="ltr">PhD THEOS-EPFL</div>
<div dir="ltr"> Switzerland </div>
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<blockquote type="cite">On 25 Jan 2024, at 15:33, Elio Physics <elio-physics@live.com> wrote:<br>
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Dear all,</div>
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<div class="x_elementToProof" style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
I have a naive question (only to make sure) regarding the format of the phonon eigenvector at a certain point q, produced in the .eig or (matdyn.modes) file(s).</div>
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<br>
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<div class="x_elementToProof" style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
Let us take a phonon wave vector:</div>
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<div class="x_elementToProof"><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">q = ( 0.000000041 -0.288465197 0.000000000 )</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"><br>
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<div><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> **************************************************************************</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> freq ( 1) = 2.149626 [THz] = 71.703791 [cm-1]</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> ( -0.000000 0.000000 -0.000000 0.000000 -0.010327 0.000000 )</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> ( -0.000000 0.000000 0.000000 0.000000 -0.554305 0.000000 )</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> ( -0.000000 0.000000 -0.257860 0.000000 0.210723 0.000000 )</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> ( -0.000000 0.000000 -0.213878 0.000000 -0.435522 0.000000 )</span></div>
<div><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> ( 0.000000 0.000000 0.257860 0.000000 0.210723 0.000000 )</span></div>
<div class="x_elementToProof"><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> ( 0.000000 0.000000 0.213878 0.000000 -0.435522 0.000000 )</span></div>
<div class="x_elementToProof"><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"><br>
</span></div>
<div class="x_elementToProof"><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">Does the 1st column represent the real part of the displacement vector along the x direction, the 4th column is its imaginary part, the 2nd
column is the real part of the y component, and the 5th column is its imaginary part, and so on?<br>
</span></div>
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<div class="x_elementToProof"><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"><span><span>Thanks</span></span></span></div>
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<div class="x_elementToProof"><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"><span><span>Dr. Elie Moujaes</span></span></span></div>
<div class="x_elementToProof"><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"><span><span>Fedearl University of Rondonia</span></span></span></div>
<div class="x_elementToProof"><span style="font-family:Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"><span><span>Brazil
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