[Pw_forum] problem with ibrav=13 again

[Tone Kokalj]

On Wed, 2009-02-04 at 10:42 +0000, hania djani-ait aissa wrote:
> Dear all,
> i am doing calculation on C2/m monoclinic base centered structure.
> Infortunately, things don't work;no symmetry in the output and weird
> structure viewed bu Xcrysden.

As for the xcrysden, it is important to use 1.5.* version of the code,
where the "ibrav" lattices have been (hopefully) syncronised with the
current definitions in pwscf. The version 1.4.1 will do it wrong.

If you still experience weird structure diplsay by xcrysden-1.5.* for ibrav=13 
let me know. Please post the whole input file.

Regards, Tone
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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