QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Val on March 1, 2011, 10:21

Title: structure in 111 plane
Post by: Val on March 1, 2011, 10:21

could you tell me how to construct one structure in 111 plane.

Title: Re: structure in 111 plane
Post by: zh on March 1, 2011, 11:53

Which version of VNL are you using?

For example, the procedure to construct the (111) plane of Ag using VNL10.8:
i) Choose the sample of Ag in the "Database" and transfer it into the "Builder";
ii) In the panel of "Builder", choose the "Cleave" in the menu of "Transform", and then specify the 1, 1, 1 to the Miller indices.

Title: Re: structure in 111 plane
Post by: zzhang on April 8, 2011, 23:48

Hello,

With the 11.2.1 version of vnl, when I tried to cleave an electrode in the 1,1,1 direction, I go the following error message: "Only cubic lattices may be cleaved".

How do I cleave a metal with the 11.2.1 version of VNL?

Thanks,
Zhiyong

Title: Re: structure in 111 plane
Post by: zh on April 11, 2011, 15:44

If the metal is cubic, its surface can be cleaved as usual way (see the steps for VNL 10.8 ).