[Wien] Space group 108 I4cm

[Rocquefelte]

Dear Monique,

The best way to help you is to see your struct file.
Could you send it to the wien list ?

Best Regards,

Xavier Rocquefelte


Monique Body a écrit :

> dear Wien users,
>
> We've got a problem with the space group 108 I4cm. When we generate 
> the struct file (from a cif file or manually), half of the equivalent 
> atomic positions are missing.
> eg: for an atom in a 16d position, only 8 equivalent positions are 
> generated. The missing positions correspond to those generated by the 
> I translation.
> We tried from a P1 space group, editing all the atomic positions, but 
> the I lattice is still not recognized.
> Does someone have any idea where our problem come from?
>
> Best regards,
> Monique
>
> ***********************************************************************
> Monique Body
> Laboratoire de Physique de l'Etat Condensé 33.2.43.83.32.54
> Université du Maine - Avenue Olivier Messiaen
> 72085 Le Mans - FRANCE
> monique.body at univ-lemans.fr
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-- 
Xavier Rocquefelte
Maître de Conférence de l'Université de Nantes

Institut des Matériaux Jean Rouxel (IMN)
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