QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Ikgut on February 22, 2011, 15:48

Title: CdSe-Nanowire
Post by: Ikgut on February 22, 2011, 15:48

hallo

i try to build a CdSe nanowire but I have some problems. I make a repitation of my unit cell in Builder (hexagonal unit cel) and droped it  in custom builder in nanowire builder....but its have not a cylindric form....I think I doing something false...but I dont know what...can you maybe help me with an advice

Thank you

IKgut

Title: Re: CdSe-Nanowire
Post by: Anders Blom on February 22, 2011, 16:24

The cylinder comes from repeating it along the Z axis. What you see is (probably) just the unit cell of the wire. You can apply a visual repetition by opening the Properties (right-click the 3d view) and set e.g. 10 as C repetition factor on the "Bulk Configuration".

Title: Re: CdSe-Nanowire
Post by: Ikgut on February 25, 2011, 11:34

....Hi

I have an question again....I try to set 10 and I see a wire but if I try to send it to scriptmanager, he see only one part, a unit cell, of my wire. What should I do to design a wire?

Thanky you for help

Ikgut

Title: Re: CdSe-Nanowire
Post by: Anders Blom on February 25, 2011, 11:43

Yes, the repetition you have made there is only visual. But why would you want to calculate the repeated system? It just takes longer time. The calculation should always be carried out for the minimal cell, not only to save time, but also to make it easier to interpret the results.

If you want to really repeat the system in order to introduce a defect, you can do that in the Builder - send it from the Custom Builder to the Builder, and apply a repetition in Z.