[Pw_forum] Problems with phonon calculation

[Ary Junior]

Hi Mateus, it works!!! Thank you very much!!!

Ary Junior

On Wed, Feb 11, 2009 at 2:10 PM, MATEUS JOSÉ FERNANDES MARTINS <
mjfmartins at ice.ufjf.br> wrote:

> Ary,
>
> Your scf calculation is configured with the variable "nosym = . false ".
> Change, set true.
>
> Mateus.
>
> 2009/2/10 Ary Junior <aryjunior at gmail.com>
>
>> Hello,
>>
>> I have a very large system and I must do a phonon calculation. This
>> calculation takes months, so I want to do with only few atoms. But the
>> variable nat_todo seems to not work. When I enable the variable for a little
>> system, it only makes the calculation ph.x to the atoms that I ask, but with
>> my system of interest, no matter if I insert nat_todo, nrapp or maxirr, it
>> continues making 3*n representations.
>>
>> Thanks very much!
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://www.democritos.it/mailman/listinfo/pw_forum
>>
>>
>
> _______________________________________________
> 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/20090212/542b21d2/attachment.html>