QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Jenny on January 29, 2016, 20:22

Title: k points setting for nanotube Blochstate
Post by: Jenny on January 29, 2016, 20:22

Hi, all.

I want to calculate the Blochstate for nanotube at G and Z?
So the k points setting should be (0,0,0) for G and (0,0,0.5) for Z?
If not, what should the k points be?

Thank you very much.

Jenny

Title: Re: k points setting for nanotube Blochstate
Post by: zh on January 30, 2016, 00:52

If the tube axis is set to along the z direction, you can do the setting as you mentioned.