QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: qweasel on February 14, 2017, 01:03

Title: Why default k_A, k_B, k_C values vary for bulk and for device?
Post by: qweasel on February 14, 2017, 01:03

When a simple bulk structure is sent to the script generator, the default values for k-point sampling density are k_A=k_B=k_C=2, while for a device the default values are k_A=k_B=2, k_C=400. Why the difference?

Title: Re: Why default k_A, k_B, k_C values vary for bulk and for device?
Post by: Anders Blom on February 14, 2017, 01:21

See http://quantumwise.com/support/tutorials/item/513-why-are-so-many-k-points-needed-in-the-transport-direction-in-a-device-calculation