[Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?

[Paolo Giannozzi]

I agree. It wasn't clearly explained in the documentation (or maybe it
wasn't explained at all) but "nat" for Wyckoff position input is the number
of independent sites, not the total number of atoms

Paolo

On Mon, Apr 25, 2016 at 8:23 PM, Youssef Aharbil <aharbil at gmail.com> wrote:

> Dear han.
> Because "nat" means simply the number of lines to be input not the number
> of atoms generated via all of wyckoff sites.
>
> Youssef Aharbil.
>
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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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