QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kalewu on June 14, 2013, 21:25

Title: how to set the K point in the x and y direction
Post by: kalewu on June 14, 2013, 21:25

Dear all,

I just read the topic raised by zhangguangping: http://quantumwise.com/forum/index.php?topic=2333.0#.UbtqCnjNksc. It seems that the K point in the x and y direction plays an important role in the calculation of transmission function.

So I have a question: If I calculate a two-probe CNT device which contains a scattering region consist of three CNT primitive unit cells and two (left and right) semi-infinite CNT electrodes, is it not enough accurate to set an 1*1 K point in the x and y direction? How do I set an accurate K point?

Best,

 

Title: Re: how to set the K point in the x and y direction
Post by: zh on June 17, 2013, 10:12

Because you are studying the CNT as electrodes, the use of 1x1 k points in x and y direction is OK.

Title: Re: how to set the K point in the x and y direction
Post by: kalewu on June 18, 2013, 20:40

Quote from: zh on June 17, 2013, 10:12

Because you are studying the CNT as electrodes, the use of 1x1 k points in x and y direction is OK.

Thanks for your reply