[QE-users] Supercell and surface creation

Zack Gainsforth zackg at berkeley.edu
Fri Mar 24 19:08:12 CET 2023


Also atomsk is good for this type of task.  https://atomsk.univ-lille.fr/

Zack

> On Mar 24, 2023, at 4:55 AM, mkondrin <mkondrin at hppi.troitsk.ru> wrote:
> 
> On 03/24/2023 02:51 PM, IBRAHIM SA'ADU wrote:
>> Please how can create a 5x5x1 supercell and (0,0,1) surface.
>> Regard
>> 
>> 
>> 
>> _______________________________________________
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>> people and expresses its concerns about the devastating
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>> and economic cooperation amongst peoples
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> Hi,
> 
> Learn more about cif2cell utility.
> 
> Hope this helps,
> 
> Regards,
> 
> M. V. Kondrin
> 
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

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