thank you Professor
On Fri, Mar 15, 2019 at 3:40 AM Paolo Giannozzi
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 wrote:
>
>> I can't understand the concept
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 wrote:
> I can't understand the concept ibrav used in QE. because ibrav=2 defines
> fcc lattice. In fcc there are four atoms per
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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