[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

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

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