[QE-users] Supercell

Fariba Islam ezqhaz at gmail.com
Tue May 5 20:56:30 CEST 2020


Thanks to all of you!

On Tue, May 5, 2020 at 1:41 PM Arles V. Gil Rebaza <arvifis at gmail.com>
wrote:

> 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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