QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: hieido on March 27, 2012, 04:28

Title: Question about K-point sampling
Post by: hieido on March 27, 2012, 04:28

 Dear all~

I'm just a child in ATK. I have a lot of question~
Can someone teach me about theory
What is the meaning of k-point sampling?
Usually by following some paper, I use na=nb=1 but nc=100~
but actually I don't know why using nc=100
can somebody teach me~ thanks a lot!~

Title: Re: Question about K-point sampling
Post by: Anders Blom on March 27, 2012, 08:38

The k-points in A and B are just a result of the periodicity (or non-periodicity) in these directions.

For C, see http://quantumwise.com/forum/index.php?topic=101.0

Title: Re: Question about K-point sampling
Post by: hieido on March 27, 2012, 13:29

Dear Sir~
Thank you so much~