[Pw_forum] unit cell of Beta-GaSe crystal

[Ayça Kırağası]

Dear Paolo Giannozzi,

Thank you so much for your helps, I have solved problem and created the
structure.

2012/7/5 Paolo Giannozzi <giannozz at democritos.it>

>
> On Jul 5, 2012, at 13:04 , Ayça Kırağası wrote:
>
> > Altough I tried so hard, I couldn't set up unit cell of B-GaSe in
> > Pwscf
>
> had you tried so hard, you would have noticed that there is something
> strange in the third column of your atomic positions: the numbers run
> from 0.1 to 0.9 in units of the lattice parameter a=3.73A, while your
> third lattice vector is c=15.9A long
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120705/a40d0712/attachment.html>