QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: huixiaodemao0712 on September 5, 2014, 03:03

Title: k point
Post by: huixiaodemao0712 on September 5, 2014, 03:03

Hi,

What's the difference between the  k points in New Calculator and Transmission Spectrum module?
Do they need to be setted as the same value?

My system is a metal-molecule-metal junction.

Thank you~~

Title: Re: k point
Post by: Umberto Martinez on September 8, 2014, 16:51

check tutorial http://quantumwise.com/publications/tutorials/item/513-why-are-so-many-k-points-needed-in-the-transport-direction-in-a-device-calculation
and previous forum posts, e.g. http://quantumwise.com/forum/index.php?topic=2831.0#.VA3B42CSzmE