[Pw_forum] Questions

[Menberu Woldemariam]

Thank you for your response.

My question is in bulk system one only needs to calculate one unit cell of
the infinite periodic system. For nanostructure
containing 100 atoms how the super cell or a unit cell can be designed?

On Wed, Dec 2, 2015 at 7:52 PM, Mahya Zare <mahyazare68 at gmail.com> wrote:

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> using VNL
>
> On 12/1/15, Menberu Woldemariam <menberuwldmrm at gmail.com> wrote:
> > Hi, dear members,
> >
> > I need information or worked example about how to design input parameters
> > for nano semiconductor systems such as silicon quantum dot or quantum
> > wires of electronic structure calculation using Quantum Espresso Package.
> >
> > Thank you very much for your time,
> > Menberu
> >
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