[QE-users] Supercell

[Offermans Willem]

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<mailto:Willem.Offermans at Vito.be>

[cid:982BA063-B96A-4A1B-89AB-5A01CA9FC70D at vito.local]

On 5 May 2020, at 07:51, Fariba Islam <ezqhaz at gmail.com<mailto: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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