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<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">Dear all,</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);"><br>
</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">I have performed some calculations on a structure, the spacegroup (SG) of which is 62 (Pnma).</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">This spacegroup is also found by QE (confirmed using the verbosity ='high' flag in an scf run
and running a thermo_pw.x to determine the SG and the special points in the reciprocal Brillouin zone).<br>
</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">When I did a phonon calculation, some modes did not have the correct symmetry:</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);"><br>
</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">For the SG 62, I expect
<font class="ContentPasted0" size="4">10 Ag + 5 B1g + <b class="ContentPasted0">10 B2g + 5 B3g</b></font><br>
</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">However, what i got was: <font class="ContentPasted1" size="4">10 Ag + 5 B1g +
<b class="ContentPasted1">5 B2g + 10 B3g</b></font><br>
</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">which, if I am not mistaken, is a charactaeristic of the space group 53 (Pmna)</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);"><br>
</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">Anyone has an idea of what could be going wrong?</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);"><br>
</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">Regards</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);"><br>
</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">Elio M</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">Federal University of Rondonia</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">Porto Velho</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">Brazil<br>
</span></div>
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