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

[Han Hsu (徐翰)]

Dear Prof. Giannozzi,

Thank you very much for the clarification.

Best regards,

Han

On Tue, Apr 26, 2016 at 3:38 AM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> 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
>
>


-- 
===============================
 Han Hsu (徐翰)
 Assistant Professor
 Department of Physics
 National Central University
 Taoyuan 32001, Taiwan
 Email: hanhsu at ncu.edu.tw
 Tel: +886-3-422-7151 ext 65303
 Fax: +886-3-425-1175
===============================
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