[Pw_forum] Too many r-vectors?

[Eric Germaneau]

Dear  stefano,

Well, I'm relaxing random structures actually.
So, what you said makes sense to me.
I have to avoid this citation.
Thank you,
Best,

              Éric.


On 06/27/2011 01:30 AM, Stefano de Gironcoli wrote:
> dear Eric Germanea
>      one place where this error can occur is in the calculation of the
> direct ion-ion interaction.
>      the error means that the you have too many atoms (>50) in the
> close neighborhood  of some of your atoms. it's quite an unlikely
> situation for a stable structure.
>      are you studying a system under extremely high pressure with a
> very low cutoff ?
>
> stefano
> -
> Stefano de Gironcoli - SISSA and DEMOCRITOS
>
>
> Quoting Eric Germaneau<germaneau at gucas.ac.cn>:
>
>> Dear QE users,
>>
>> I recently my self consistent calculations have crashed (pw.x) with the
>> error "too many r-vectors".
>> I did not find the meaning and how to avoid it.
>> Well, I guess it has something to do with real space vectors but that's it.
>> So, I may need your light here.
>> Thank you,
>>
>>                 Éric.
>>
>> -- 
>> /Be the change you wish to see in the world
>> / --- Mahatma Gandhi ---
>>
>> Dr. Éric Germaneau<mailto:germaneau at gucas.ac.cn>
>>
>> College of Physical Sciences
>> Graduate University of Chinese Academy of Sciences
>> Yuquan Road 19A
>> Beijing 100049
>> China
>>
>> /Please, if possible, don't send me MS Word or PowerPoint attachments
>> Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /
>
>
> ----------------------------------------------------------------
>     SISSA Webmail https://webmail.sissa.it/
>     Powered by Horde http://www.horde.org/
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>

-- 
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. Éric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110627/97ea2005/attachment.htm