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<p>Dear Lorenzo.</p>
<p>If this is indeed a problem related to Virtual NanoLab, I will be
happy to try to help you out. Could you give more details on what
you did in VNL? And preferably also attach the generated PWscf
input file.</p>
<pre class="moz-signature" cols="72">--
Jess Wellendorff
Scientific Specialist
QuantumWise A/S
Fruebjergvej 3, Postbox 4
2100 Copenhagen, Denmark
Web: <a class="moz-txt-link-abbreviated" href="http://www.quantumwise.com">www.quantumwise.com</a>
Email: <a class="moz-txt-link-abbreviated" href="mailto:jess.wellendorff@quantumwise.com">jess.wellendorff@quantumwise.com</a>
Tel: +45 69901888
--</pre>
<p><br>
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<br>
<div class="moz-cite-prefix">On 09/28/2016 08:18 AM, Stefano de
Gironcoli wrote:<br>
</div>
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type="cite">
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<div>Looks like a problem in how you 'add vacuum' In your virtual
nanolab step. Difficult to say without further information.<br>
<br>
stefano
<div>(sent from my phone)</div>
</div>
<div><br>
On 28 Sep 2016, at 06:51, Lorenzo Pedrazzetti <<a
moz-do-not-send="true"
href="mailto:lorenzo.pedrazzetti@polimi.it">lorenzo.pedrazzetti@polimi.it</a>>
wrote:<br>
<br>
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<span style="font-family: Arial; font-size:12pt">Goodmorning
qe community,<br>
I created an interface metal/semic by using virtual nanolab;
when I come to check my structure with xcrysden I notice
that, when vacuum is added enlarging the corresponding
CELL_PARAMETERS component, all my atoms move along that
direction, effectively expanding the cell instead of
introducing vacuum layers.<br>
Where do I mess up? I thought the system is such that fixed
celldm () and ATOMIC_POSITIONS all atoms should not move
anymore.<br>
Thanks, have a nice day.<br>
<br>
Sent from my ASUS</span>
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