how to set the K point in the x and y direction

[kalewu]

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,

 

[zh]

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

[kalewu]

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