[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
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160308/8ac6653c/attachment.html>
More information about the users
mailing list