<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto"><div>Are your atomic positions given in alat or crystal setting ? Understand the difference between the two options<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>
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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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