[Pw_forum] symmetry opertions

[Paolo Giannozzi]

f is the fractional translation associated to a given symmetry operation

On Thu, Nov 9, 2017 at 11:37 AM, Uri Argaman <argamanu at post.bgu.ac.il>
wrote:

> Dear QE users and developers
> What is the meaning of the f vector in the symmetry operations?
> For example (from the PW output):
>
> isym =  6     120 deg rotation - cart. axis [-1,1,1]
> cryst.   s( 6) = (     0          0         -1      )    f =(  0.0000000 )
>                        (    -1          0          0      )       (
> 0.5000000 )
>                        (     0          1          0      )       (
> 0.5000000 )
>
>  cart.    s( 6) = (  0.0000000 -1.0000000  0.0000000 )    f =(  0.0000000 )
>                         (  0.0000000  0.0000000  1.0000000 )       (
> 0.5000000 )
>                         ( -1.0000000  0.0000000  0.0000000 )       (
> 0.5000000 )
>
>
> Thank you very much
> Uri Argaman
> Ben-Gurion University
> Israel
>
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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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