<div dir="auto">Dear Lorenzo,<div dir="auto"><br></div><div dir="auto">Thank you for your swift response and clarification on this.</div><div dir="auto"><br></div><div dir="auto">Regards, </div><div dir="auto"><br></div><div dir="auto">Collins E Ouserigha </div><div dir="auto">Niger Delta University </div><div dir="auto">Nigeria. </div></div><br><div class="gmail_quote gmail_quote_container"><div dir="ltr" class="gmail_attr">On Sun, 28 Dec 2025, 15:24 Lorenzo Paulatto, <<a href="mailto:lorenzo.paulatto@cnrs.fr">lorenzo.paulatto@cnrs.fr</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><u></u>
<div style="padding-bottom:1px">
<p>Hello,</p>
<p>you do not need to, as long as you stick with calculation that
effectively do a restart (nscf, bands). However, it could be a
good idea to do it anyway in case you do an scf calculation.</p>
<p>hth</p>
<div>On 28/12/2025 15:43, Ebiyibo Collins
Ouserigha wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">Dear Users,
<div><br>
</div>
<div>I am running a vc-relax calculation for some Halide
Perovskite materials. Do I have to manually update my scf/nscf
inputs file with the new CELL_PARAMETERS and ATOMIC_POSITIONS
after a vc-relax calculation? Or this data will be
automatically read from the OUT folder during the scf/nscf
run? </div>
<div><br>
</div>
<div>Thank you for making out time to clarify my doubts.</div>
<div><br>
</div>
<div>Collins E. Ouserigha</div>
<div>Niger Delta University</div>
<div>Nigeria</div>
</div>
<br>
<fieldset></fieldset>
<pre>_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" target="_blank" rel="noreferrer">www.max-centre.eu</a>)
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" rel="noreferrer">users@lists.quantum-espresso.org</a>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank" rel="noreferrer">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<div>-- <br>
<small>Dr. Lorenzo Paulatto<br>
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN <br>
phone: +33 (0)1 442 79822 / telegram: lpaulatto<br>
<a href="http://www.impmc.upmc.fr/~paulatto/" target="_blank" rel="noreferrer">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/" target="_blank" rel="noreferrer">https://anharmonic.github.io/</a><br>
23-24/423 B115, <a href="https://www.google.com/maps/search/4+place+Jussieu?entry=gmail&source=g">4 place Jussieu</a> 75252 Paris CX 05<small></small></small></div>
</div>
<u></u><u></u>
_______________________________________________________________________________<br>
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.<br>
--------------------------------------------------------------------------------<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" rel="noreferrer">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>