QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jai on August 16, 2013, 15:38

Title: Nanoparticle study in ATK
Post by: jai on August 16, 2013, 15:38

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,

Title: Re: Nanoparticle study in ATK
Post by: Anders Blom on August 16, 2013, 20:59

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.

Title: Re: Nanoparticle study in ATK
Post by: jai on August 17, 2013, 09:55

Thank you sir for your timely response..  :)