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<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 class="moz-cite-prefix">On 28/12/2025 15:43, Ebiyibo Collins
Ouserigha wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CACos5dhg7s0VW24a=gnips8-4sNsQu06f4oTMFwrbHFrR2PEXQ@mail.gmail.com">
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<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>
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IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN <br>
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