QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: semran on March 10, 2015, 15:33

Title: Au cluster with truncated octahedron symetry
Post by: semran on March 10, 2015, 15:33

Dear quantum wise team,

I have just obtained the quota to be able to purcahese the VNL code. Although I do not have a licence for code (actually except trial one), I wonder if it is possible to generate Au cluster with truncated octahedral symetry using VNL.
Could you please explain the steps to be able to generate cluster with defined symetry, if it is possible?
Thanks for advance and supporting science.

Regards,

ipek

Title: Re: Au cluster with truncated octahedron symetry
Post by: zh on March 12, 2015, 08:55

You can try "Wulff Constructor" in the "Builders" of VNL. The surface energies [100], [110], and [111] are chosen to be same value when you build a Wulff cluster of gold.