[QE-users] Atomic position X-CrysDen

Offermans Willem willem.offermans at vito.be
Sun Dec 22 10:49:43 CET 2019


Dear Pooja and Quantum Espresso users,

To assist you, we need a better description of what you want to achieve.

You can find the atomic positions of each atom by searching.

You do understand that the above answer is as vague as your question.

Please don’t feel offended, I (we) really want to help you, but we cannot if I (we)
don’t have a better description of your issue.


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 19 Dec 2019, at 08:23, Pooja Vyas <poojavyas1251995 at gmail.com<mailto:poojavyas1251995 at gmail.com>> wrote:

If there are more than 100 or 150 atoms in a supercell, how to find atomic positions of each?
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