[QE-users] hai,

[yasmin kani]

thank you Professor

On Fri, Mar 15, 2019 at 3:40 AM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> You are thinking to the so-called "conventional" (simple cubic) cell, but
> QE uses the "primitive" (smallest) cell
>
> Paolo
>
> On Thu, Mar 14, 2019 at 7:17 PM yasmin kani <yasminkani8 at gmail.com> wrote:
>
>> I can't understand the concept ibrav used in QE. because ibrav=2 defines
>> fcc lattice. In fcc there are four atoms per unit cell but we  give nat=2.
>> why?
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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