[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