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<p>According to the QE documentation at [1] for pp.x:</p>
<ul>
<li><i>All output quantities are in ATOMIC (RYDBERG) UNITS unless
otherwise explicitly specified.</i></li>
<li><i>All charge densities integrate to the NUMBER of electrons
not to the total charge.</i></li>
<li><i>All potentials have the dimension of an energy (e*V, not
V).</i></li>
</ul>
<p>The webpages at [2] and [3] mention the pp.x charge densities
being in units of e/Bohr^3.</p>
[1] <a class="moz-txt-link-freetext" href="https://www.quantum-espresso.org/Doc/INPUT_PP.html">https://www.quantum-espresso.org/Doc/INPUT_PP.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/pipermail/users/2009-April/012356.html">https://lists.quantum-espresso.org/pipermail/users/2009-April/012356.html</a><br>
[3]
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/pipermail/wannier/2021-January/001848.html">https://lists.quantum-espresso.org/pipermail/wannier/2021-January/001848.html</a><br>
<p>Hopefully that helps,</p>
Gavin<br>
XCrySDen user
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<div class="moz-cite-prefix">On 2/24/2026 3:30 AM, Мищенко В.Н.
wrote:<br>
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<p><span style="font-size: 12pt;">Good afternoon,</span></p>
<p style="text-align: justify;"><span style="font-size: 12pt;">I
would like to ask a question related to the dimensions of
the Δn(r) and V parameters, which appear in the XCrySden
program (version xcrysden-1.5.60-bin-semishared) on the
Print thermometer image panel during postprocessing using
the file diam8A.pbe.pot.in in the pp.x program in Quantum
Esspreso (version 7.4.1). Attached is the scf.in input
file for my structure, as well as a photocopy of the
thermometer panel with the digital data. To obtain charge
distribution and total potential images, I use the .xcf
file obtained using Quantum Esspreso, but I did not find
any data on the dimensions of the above parameters in this
file.</span></p>
<p><span style="font-size: 12pt;">Could you advise me on a
possible solution to this problem?</span></p>
<br>
<p><span style="font-size: 12pt;">Sincerely,</span></p>
<p><span style="font-size: 12pt;">Valery Mishchenko</span></p>
<p><span style="font-size: 12pt;">PhD, BSUIR</span></p>
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