[Pw_forum] How we can create Supercell from atomic positions of unit cell?

Stefano Baroni baroni at sissa.it
Tue Jun 14 09:50:55 CEST 2011


Give xcrysden a try
SB

On Jun 13, 2011, at 2:44 PM, zafar rasheed wrote:

> 
> 
> Hi
>  
>    I am PhD scholar and using Quantum Espresso Software. I do not know how to create supercell from unit cell. I do not know how to set CELL PARAMETERS option when we set ibrav=0. We actually want to create nanotube. I hope that you will guide me about this.
>  
> Best Regards
>  
> Muhammad zafar
>  
> PhD scholar
>  
> The Islamia University of Bahawalpur, Pakistan
> 
> _______________________________________________
> 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/20110614/e7857d63/attachment.html>


More information about the users mailing list