[QE-users] Symmetry Errors of Phonon calculations appear

[Paolo Giannozzi]

I did, and it looks like it is produced by "the usual suspects":
not-so-symmetrical positions + paranoid checks (in d_matrix this time)

On Tue, Apr 16, 2019 at 2:52 PM Lorenzo Paulatto <paulatz at gmail.com> wrote:

> >
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> >       task #         0
> >       from d_matrix : error #         2
> >       D_S (l=3) for this symmetry operation is not orthogonal
> >
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
>
> I did not manage to reproduce your error with a reduced cutoff and
> k-points, please provide also the output files.
>
> kind regards
>
> --
> Lorenzo Paulatto - Paris
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>


-- 
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190416/4290319f/attachment.html>