Re: [QE-users] a question on k-points

2018-03-26 Thread Paolo Giannozzi 
No. For grids given as lists of k-points, symmetry-inequivalent points are
added, but symmetry-equivalent points are not removed.

Paolo

On Mon, Mar 26, 2018 at 4:43 PM, Yi Wang  wrote:

> Hi,
>
> When doing SCF calculations, if I manually input a set of full grid
> k-points using the card "K_POINTS crystal" without any symmetry
> reduction, will pw.x automatically do the reduction with respect to the
> symmetry? (assuming nosym=.false.)
>
> Many thanks.
>
> Yi Wang
> Nanjing University of Science and Technology
>
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> users mailing list
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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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[QE-users] a question on k-points

2018-03-26 Thread Yi Wang 









Hi,When doing SCF calculations, if I manually input a set of full grid k-points using the card "K_POINTS crystal" without any symmetry reduction, will pw.x automatically do the reduction with respect to the symmetry? (assuming nosym=.false.)Many thanks.Yi WangNanjing University of Science and Technology



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