Looks like a problem in how you 'add vacuum' In your virtual nanolab step. Difficult to say without further information.
stefano (sent from my phone) > On 28 Sep 2016, at 06:51, Lorenzo Pedrazzetti <lorenzo.pedrazze...@polimi.it> > wrote: > > 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
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