[Pw_forum] filepp(1) too short

Stefano Baroni baroni at sissa.it
Tue Jun 21 15:47:00 CEST 2011


sounds like a system limitation, not anything intrinsic to pp.x (or so I believe ...)
SB

On Jun 21, 2011, at 3:00 PM, jorge.gallardo at cab.cnea.gov.ar wrote:

> Hello all
> 
> Someone knows how to enlarge the data matrix stored in filepp(1), when
> calculating electronic density using pp.x? That file is limited up to 140
> MB  (using iflag = 3, output_format = 3) so it stores a 3d-matrix
> 432x432x45, but I would need a biger one.
> 
> thank you in advance!
> 
> 
> ____
> 
> Lic. Jorge A. García Gallardo
> Materiales Metalicos y Nanoestructurados
> TeMaDi
> Bariloche Atomic Center
> CNEA
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

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://lists.quantum-espresso.org/pipermail/users/attachments/20110621/77fa133b/attachment.html>


More information about the users mailing list