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<p>Hi</p>
<p>You have only performed a single point energy calculation
(RUN_TYPE ENERGY). You cannot optimize the lattice constant with
this kind of simulation. Please refer to the tutorials on how to
perform such a calculation, e.g. here:
<a class="moz-txt-link-freetext" href="https://www.cp2k.org/events:2019_cp2k_workshop_ghent:index">https://www.cp2k.org/events:2019_cp2k_workshop_ghent:index</a> under "<a
href="https://www.cp2k.org/exercises:2016_summer_school:geometry_and_cell_optimization"
class="wikilink1"
title="exercises:2016_summer_school:geometry_and_cell_optimization"
data-wiki-id="exercises:2016_summer_school:geometry_and_cell_optimization">Geometry
and cell optimization of NaCl clusters</a>"</p>
<p>Cheers,</p>
<p>Fabian<br>
</p>
<div class="moz-cite-prefix">On 11.05.2021 19:08, sumit agrawal
wrote:<br>
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cite="mid:CALSDoYbVb-H5Bp3K5twhNotUESTnixKMaWBnBKNMZr7xzC2=S...@mail.gmail.com">
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<div dir="ltr">Hii everyone,<br>
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<div>I want to calculate a lattice constant for the Ar crystal
of (2*2*2 unit cell). I am attaching my input and out files.
Where I will find the lattice constant ?</div>
<div><br>
</div>
<div>Please help me!!</div>
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