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<p class="MsoNormal">Dear Stefano, </p>
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<p class="MsoNormal">that is indeed a very helpful point. Thanks a lot!</p>
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<p class="MsoNormal">All the best, </p>
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<p class="MsoNormal">Carl-Friedrich Schön</p>
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<p class="MsoNormal" style="border:none;padding:0cm"><b>Von: </b><a href="mailto:baroni@sissa.it">Stefano Baroni</a><br>
<b>Gesendet: </b>Mittwoch, 22. September 2021 11:59<br>
<b>An: </b><a href="mailto:users@lists.quantum-espresso.org">Quantum ESPRESSO users Forum</a><br>
<b>Betreff: </b>Re: [QE-users] Effective Mass Tensor unit-cell dependency</p>
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<div class="">On 22 Sep 2021, at 11:42, Schön, Carl-Friedrich <<a href="mailto:schoen@physik.rwth-aachen.de" class="">schoen@physik.rwth-aachen.de</a>> wrote:</div>
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Dear Pietro,<span class="Apple-converted-space"> </span></div>
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I actually haven’t started thinking about which High Symmetry Points are comparable/identical going from one unit cell definition to the next. I was assuming that the Gamma Point (0,0,0) should be identical/equivalent no matter the representation of the unit
cell.<span class="Apple-converted-space"> </span></div>
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Not a fair assumption. The states at the gamma point of an 8-atom cell are equivalent to the union of the states at the Gamma and the three X points of a 2-atom cell. It has to be so, because the number of states at each k point must be proportional to the
number of atom in the unit cell (by the way, this why the so-called "density of states” is actually a DOS per unit volume …).</div>
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<div>Hope this helps</div>
<div>SB</div>
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<div class=""><span style="font-size: 12px;" class="">— </span></div>
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<div style="margin: 0px;" class=""><font class="Apple-style-span"><span style="font-size: 12px;" class="">Stefano Baroni - Trieste — </span><a href="http://stefano.baroni.me" style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-stroke-width: 0px;" class="">http://stefano.baroni.me</a><span style="font-size: 12px;" class=""> </span></font></div>
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