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Author Topic: Problem while constructing nanoparticles with wurtzite structure  (Read 3615 times)

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Offline hsharma

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Problem while constructing nanoparticles with wurtzite structure
« 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.
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Offline zh

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Re: Problem while constructing nanoparticles with wurtzite structure
« Reply #1 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.
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Offline hsharma

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Re: Problem while constructing nanoparticles with wurtzite structure
« Reply #2 on: January 8, 2017, 16:02 »
Thank you. How do I convert hexagonal to orthorhombic?

Henu.
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Offline Anders Blom

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Re: Problem while constructing nanoparticles with wurtzite structure
« Reply #3 on: January 9, 2017, 11:12 »
By using simple mathematics. It's included in some of our tutorials also.
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Offline hsharma

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Re: Problem while constructing nanoparticles with wurtzite structure
« Reply #4 on: January 9, 2017, 12:46 »
Thank you.
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