Nanoparticle study in ATK

[jai]

Dear ATK Team,

Plz let me know how to model nanoparticles in ATK with roughly spherical geometry and fixed size (say 2 to 5 nm)?

Regards,

[Anders Blom]

There is a nanocluster builder in ATK 12.8 based on the Wulff construction. Then you can in principle apply any of the methods in ATK to compute the properties you are interested in, but at that size probably tight-binding is the only reasonably choice for electronic structure.

[jai]

Thank you sir for your timely response..