[QE-users] hai,

[Paolo Giannozzi]

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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