Re: [Spglib-users] Find a primitive cell

[Atsushi T. <atz...@gm...>]

Hi,

Yes, I think so. But spglib is a library, so you need some other software to
1) parse cif file
2) give the crystal structure data to spglib
Spglib is imported from other codes like pymatgen, etc. You may be
able to use web app such as
https://www.materialscloud.org/work/tools/seekpath.

Togo

On Thu, Jul 22, 2021 at 7:39 PM Saeed Pourasad <sae...@gm...> wrote:
>
> Dear spglib users,
>
> Hi.
> I have a crystal structure (cif file) and I want to find its primitive cell, I was wondering If I can use "spglib" for this purpose?
> I am trying to get familiar with this package and I would be grateful if you can give me some tutorials or examples!
>
> Thanks for your attention in advance.
> Best,
> Saeed.
>
>
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-- 
Atsushi Togo