QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Abdullah Fatih on March 22, 2016, 21:52

Title: Bandstructure parameters
Post by: Abdullah Fatih on March 22, 2016, 21:52

Hi,

In the bandstructure screen, I choose the "Bands above Fermi level" option as a 20.  But in the results file, I see that the 400 band (200 spin up, 200 spin down).

How can I do that?

Title: Re: Bandstructure parameters
Post by: Jess Wellendorff on March 23, 2016, 09:38

Could you provide the script used for the calculations?

Title: Re: Bandstructure parameters
Post by: Abdullah Fatih on March 23, 2016, 20:35

Ok. You can find it in the attachments.

Title: Re: Bandstructure parameters
Post by: Anders Blom on March 24, 2016, 02:14

Which version? Script seems a bit old, like for ATK 2014?

Title: Re: Bandstructure parameters
Post by: Abdullah Fatih on March 25, 2016, 23:03

Version is 12.2.

Title: Re: Bandstructure parameters
Post by: Anders Blom on March 28, 2016, 02:30

Maybe a bug, but this is an old version, which is not supported anymore.