[Pw_forum] Shifted_Vs_Unshifted

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Tue Mar 8 22:30:21 CET 2016


If you use 1's the grid will be shifted by half its step, this makes the
integrals of the grid convergence faster in some cases.
On 8 Mar 2016 8:51 p.m., "Mofrad, Amir Mehdi (MU-Student)" <
amzf5 at mail.missouri.edu> wrote:

> Dear all QE users and developers,
>
>
> I have a question about the K_POINTS card in the input file. What is the
> difference between using shifted (1 1 1) and unshifted (0 0 0)?
>
>
> Best,
>
>
>
> Amir M. Mofrad
>
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>
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