QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ac on February 8, 2012, 07:23

Title: complex bandstructure
Post by: ac on February 8, 2012, 07:23

Hello,

I was wondering how to analyze the complex bandstructure.

specifically, why dots appear ?  and how sensitive is the calculation to k-points along the different axes ?

thank you.

regards,
Anurag

Title: Re: complex bandstructure
Post by: Anders Blom on February 13, 2012, 13:23

The dots are the roots kz to the problem E=E(kx,ky,kz) for a given energy E and k-point (kx,ky). So the closer the energy points, the closer the dots which makes it easier to trace out lines connecting the dots.

There is no k-point sampling for the complex band structure, instead the band structure is computed for a specific value of (kx,ky).