[QE-users] Supercell

Arles V. Gil Rebaza arvifis at gmail.com
Tue May 5 09:40:59 CEST 2020


Dear Fariba, try to use Burai code, is a GUI of QuantumEspresso, a friendly
tool to build supercell.

https://nisihara.wixsite.com/burai

Best

Dr. Arles V. Gil Rebaza
Instituto de Física La Plata
La Plata - Argentina

El mar., 5 may. 2020 a las 4:21, Offermans Willem (<willem.offermans at vito.be>)
escribió:

> Hi Fariba and Quantum Espresso friends,
>
> Are you aware of the following files in the source:
>
> /qe-6.4.1/COUPLE/examples/README
> /qe-6.4.1/CPV/examples/README
> /qe-6.4.1/GWW/examples/README
> /qe-6.4.1/HP/examples/README
> /qe-6.4.1/PHonon/examples/README
> /qe-6.4.1/PP/examples/README
> /qe-6.4.1/PW/examples/README
> /qe-6.4.1/TDDFPT/examples/README
> /qe-6.4.1/thermo_pw/examples/README
>
> I guess that especially
>
> /qe-6.4.1/PW/examples/README
>
> is of interest for you.
>
>
> Met vriendelijke groeten,
> Mit freundlichen Grüßen,
> With kind regards,
>
>
> Willem Offermans
> Researcher Electrocatalysis SCT
> VITO NV | Boeretang 200 | 2400 Mol
> Phone:+32(0)14335263 Mobile:+32(0)492182073
>
> Willem.Offermans at Vito.be
>
>
> On 5 May 2020, at 07:51, Fariba Islam <ezqhaz at gmail.com> wrote:
>
> Dear users,
> I am new to Quantum Espresso and have a very naive question. Can anyone
> please tell me how can I create a supercell of silicon fcc crystal?
>
> Regards
> Fariba Islam
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