[Pw_forum] supercell and vacuum

Lorenzo Pedrazzetti lorenzo.pedrazzetti at polimi.it
Wed Sep 28 06:51:58 CEST 2016

Goodmorning qe community,
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.
Where do I mess up? I thought the system is such that fixed celldm () and ATOMIC_POSITIONS all atoms should not move anymore.
Thanks, have a nice day.

Sent from my ASUS
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