QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: berna on February 17, 2018, 01:24

Title: K-Points and Repetitions
Post by: berna on February 17, 2018, 01:24

Hi. I am investigating different shapes of nanosheets like 3,5,7 times in B and 3,5,7 times in C directions.
I know this knowledge from siesta lessons:
"Since for unit cells of different shapes it is not possible to choose exactly
the same k-point sampling, a usual strategy is to try and maintain the
same density of k-points".
Then I used same density of k points instead of k-point samplings for all structures. Now I concern about repetitions of nanosheet plugin. Am I free for choosing chiral vectors at nanosheet plugin?

Title: Re: K-Points and Repetitions
Post by: Daniele Stradi on February 19, 2018, 09:56

Yes, the density of k-points will stay constant, independently on the number of repetitions and chirality. 
Regards,
Daniele