QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: hsharma on January 8, 2017, 11:22

Title: Problem while constructing nanoparticles with wurtzite structure
Post by: hsharma on January 8, 2017, 11:22

I want to create a nanoparticle with wurtzite structure, however in the wulff constructor it does not allow hexagonal symmetry.  How to fix this problem?

Many thanks.
Henu.

Title: Re: Problem while constructing nanoparticles with wurtzite structure
Post by: zh on January 8, 2017, 12:38

Alternatively, you may first convert the hexagonal unit cell to an orthorhombic unit cell. And then do the construction of nanoparticle.

Title: Re: Problem while constructing nanoparticles with wurtzite structure
Post by: hsharma on January 8, 2017, 16:02

Thank you. How do I convert hexagonal to orthorhombic?

Henu.

Title: Re: Problem while constructing nanoparticles with wurtzite structure
Post by: Anders Blom on January 9, 2017, 11:12

By using simple mathematics. It's included in some of our tutorials also.

Title: Re: Problem while constructing nanoparticles with wurtzite structure
Post by: hsharma on January 9, 2017, 12:46

Thank you.