[QE-users] QE-6.6 Error in routine scale_sym_ops (4): incompatible FFT grid

[Paolo Giannozzi]

On Mon, Nov 30, 2020 at 7:19 AM rekha sharma <rekha1997jpr at gmail.com> wrote:

>
> https://gitlab.com/QEF/q-e/-/merge_requests/1069
>
> Could someone please help me what should I do to resolve this?
>

you should use symmetric atomic positions and cell vectors, not
"quasi-symmetric" ones.

Paolo
-- 
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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