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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">Hello all,<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">I have a phonon calculation that I am attempting to visualize. I tried the interactive phonon visualizer tool hosted on materials toolbox and the results looked good. I then learned that QE has
some native tools for this as well; using the *.dyn file from the ph.x code I can run dynmat.x to generate a file viewable in xcrysden. All this appears to be working, no errors etc.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">The problem is that when I open the resulting file in xcrysden and display the output as forces (this per the tutorial I found on the topic), the modes don’t look right. For example modes 1-3
do not look like TA/LA modes and are pointing in diagonal directions rather than being aligned with the axes. Am I doing something wrong or am I misunderstanding what the QE-output .axsf file is meant to represent?<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">I’ve attached an sample dynmat.out and corresponding asxf file also produced by dynmat.x.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">Thanks,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;color:black">Brad<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;color:black">--------------------------------------------------------<o:p></o:p></span></p>
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<p class="MsoNormal"><strong><span style="font-family:"Calibri",sans-serif">Bradly Baer</span></strong><o:p></o:p></p>
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<p class="MsoNormal">Graduate Student Teaching Assistant , Interdisciplinary Materials Science<o:p></o:p></p>
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<p class="MsoNormal">Vanderbilt University<br>
<a href="mailto:bradly.b.baer@Vanderbilt.Edu">bradly.b.baer@Vanderbilt.Edu</a><o:p></o:p></p>
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