[Pw_forum] question about the wrong point group symmetry operation recognized by pwscf

[Lorenzo Paulatto]

On Tue, Jun 5, 2012 at 7:42 AM, Sanjay D. Gupta <guptasanjay.56 at gmail.com>wrote:

>      warning: symmetry operation #  3 not allowed.   fractional translation:
>        0.5000000 -0.5000000  0.5000000  in crystal coordinates
>
>
> Dear Sanjay,
please see section 5.0.0.20 of the user guide.
<http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/>

best regards

-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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