QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: freshgirl203 on May 12, 2009, 13:53

Title: question on two-probe model setting up
Post by: freshgirl203 on May 12, 2009, 13:53

I followed the VNL version 200810 tutorial, to set up a Li-H2-Li two-probe system. But I found that the position of the right electrode can not be adjusted indivisually. Everytime I tried to move the right electrode closer to H2 molecule in the middle, the whole left electrode and H2 molecule will move, too.

Please see attached figures.
1st step: I adjusted the distance between H2 to the left electrode
(http://lh3.ggpht.com/_-2Pymfy92_o/SgliTexcRyI/AAAAAAAADT0/3BfiXUsN6eg/s912/1st.jpg)

2nd step: I want to select the Li atom nearest to H2 in the right electrode, but everytime all the middel region in white was selected
(http://lh3.ggpht.com/_-2Pymfy92_o/SgliTKAhy_I/AAAAAAAADTw/tz2uBe6ZejI/2nd.JPG)

3rd step: I use "translate" commond, the whole unwanted region moved toward right
(http://lh6.ggpht.com/_-2Pymfy92_o/SgliTuRqCoI/AAAAAAAADT4/RRYR56p7GyM/s912/3rd.jpg)

If this problems happen to every case, how can we set up a two-probe system successfully? Pls help. Thanks in advance.

Title: Re: question on two-probe model setting up
Post by: Anders Blom on May 13, 2009, 13:37

It seems your pictures did not get attached to the post.

When it comes to selecting the Li atom, you will not see the actual atom get selected, that's true (and a bit confusing). You just need to have the mouse over it when you right-click to choose translate. Hope this helps.

Title: Re: question on two-probe model setting up
Post by: qqquser on May 15, 2009, 14:17

I think  you can adjust the  position of  two H2, it look like translate the Li....
       I hope this will help you!

Title: Re: question on two-probe model setting up
Post by: freshgirl203 on May 19, 2009, 04:10

Hi all,

the problem has been solved, thanks.