[Wien] The crystal structure of nanoparticle structure

Algerian Researcher jazairdz at gmail.com
Tue May 24 09:06:51 CEST 2022


Hello wien users
I want to simulate the nanoparticle structure of Palladium in fcc structure.
To model the smallest particle with cubic shape we use the unit cell  with
14 atoms as mentioned in the article.

How to do that in wie2k

https://www.researchgate.net/publication/224621006_AB_initio_calculation_for_magnetism_of_Pd_nanoparticles
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