QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: GJK on May 26, 2014, 20:24

Title: k points for device and bulk of ZGNR
Post by: GJK on May 26, 2014, 20:24

Dear all,

I wonder why we need less k points for bulk and more for device calculations are used during optimization of  ZGNR.

Your assistance is required???

Title: Re: k points for device and bulk of ZGNR
Post by: Anders Blom on May 26, 2014, 21:26

http://quantumwise.com/publications/tutorials/mini-tutorials/214-why-are-so-many-k-points-needed-in-the-transport-direction-in-a-device-calculation