[Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output

[Paolo Giannozzi]

What do you mean by "results with multiplicity 1" and "Wyckoff multiplicity?

On Tue, Apr 4, 2017 at 12:08 PM, hqtst42 <hqtst42 at netc.pl> wrote:
> Dear everyone,
>
> In the enclosed input file, I set atomic coordinates of all equivalent atoms
> with crystal_sg and the space group.
>
> This should give results with a multiplicity of 1, but I have instead a
> multiplicity of 2 in the output file.
> How can I force the program to conserve the Wyckoff multiplicity taken as an
> input ?
> All in QE v 6.0
>
> Many thanks in advance,
>
> Henri Colaux
> Research associate
> RIKEN Yokohama
>
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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