<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto"><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 href="mailto:lorenzo.pedrazzetti@polimi.it">lorenzo.pedrazzetti@polimi.it</a>> wrote:<br><br></div><blockquote type="cite"><div>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
<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>
</div></blockquote><blockquote type="cite"><div><span>_______________________________________________</span><br><span>Pw_forum mailing list</span><br><span><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a></span><br><span><a href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></span></div></blockquote></body></html>