[QE-users] mesh mismatch

[Paolo Giannozzi]

On Thu, Oct 22, 2020 at 5:16 PM Sergey Lisenkov <proffess at yandex.ru> wrote:

I encountered a problem with my PAW pseudopotentials from ATOMPAW:
>
> mismatch mesh
>
> that comes from upflib/read_upf_new.f90
>
> I checked my UPF file and I see that meshes are different in some places
> of the file, however v.6.6 is OK with that.
>
> Was something changed in the code as well?
>

yes, the code reading the pseudopotentials has changed a lot, but it should
read files exactly as before. Please provide the pseudopotential file.

Paolo


>
> Thanks,
>  Sergey
>
> USF
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-- 
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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