[Pw_forum] (no subject)

[Eyvaz Isaev]

Hi Patricia,

I suppose that your problem is not connected to atoms
number in the unit cell. Otherwise a warning message
should be appeared.

Unfortunately,  your message is not informative to 
say more.

Regards,
Eyvaz Isaev
Theoretical Physics Department
Moscow Steel and Alloys Institute
--- Patricia Paredes <patricia at fcq.unc.edu.ar> wrote:
> Hi, I-m trying to calculate some properties of an
> adsorbate-surface system. I have 72 atoms in the
> 'unit cell' (ibrav=0) and the old version of pwscf
> starts and dies before the first scf iteration
> without any message. Is there any restriction with
> respect to the number of atoms in the unit cell??
> 
> thanks 
> 
> Patricia.
> 
> <bold><underline>Prof. Dr. Patricia Paredes Olivera
> 
> </underline></bold>Facultad de Ciencias Químicas
> 
> Universidad Nacional de Córdoba
> 
> ph/fax: 054-0351-434-4972
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