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Sorry for the typo: the second column the imaginary part of x*<br id="lineBreakAtBeginningOfSignature">
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<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 15:51, Chiara Cignarella <chiara.cignarella@epfl.ch> wrote:<br>
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<div dir="ltr"> 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="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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Let us take a phonon wave vector:</div>
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<div class="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>
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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="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>
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</span></div>
<div class="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>
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<div class="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="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="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="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"><span><span>Brazil
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<span>_______________________________________________</span><br>
<span>The Quantum ESPRESSO community stands by the Ukrainian</span><br>
<span>people and expresses its concerns about the devastating</span><br>
<span>effects that the Russian military offensive has on their</span><br>
<span>country and on the free and peaceful scientific, cultural,</span><br>
<span>and economic cooperation amongst peoples</span><br>
<span>_______________________________________________</span><br>
<span>Quantum ESPRESSO is supported by MaX (www.max-centre.eu)</span><br>
<span>users mailing list users@lists.quantum-espresso.org</span><br>
<span>https://lists.quantum-espresso.org/mailman/listinfo/users</span></div>
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