Messages

1

General Questions and Answers / Band Gap Extractor

« on: May 25, 2017, 20:48 »

Hi,

I am using ATK 2016.4 version for nanotube works. Is there any scripts for band gap works?

I want to calculate band gap directly.

Thanks,

2

General Questions and Answers / Re: Bandstructure parameters

« on: March 25, 2016, 23:03 »

Version is 12.2.

3

General Questions and Answers / Re: Bandstructure parameters

« on: March 23, 2016, 20:35 »

Ok. You can find it in the attachments.

4

General Questions and Answers / Bandstructure parameters

« 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?

5

General Questions and Answers / Re: There is a error in ATK 11.8

« on: November 25, 2011, 21:55 »

Dear Anders Blom, I understood you but I am looking forward for a solution

Dear Nordland, Thanks a lot for useful informations about this problem. I will try your opinions..

6

General Questions and Answers / Re: There is a error in ATK 11.8

« on: November 24, 2011, 22:29 »

Ok. I attached sample input file.

7

General Questions and Answers / There is a error in ATK 11.8

« on: November 24, 2011, 19:06 »

Hi,
I am using ATK 11.8 current version.
When I am simulating graphene ribbon or graphene sheet with MGAA I see an error message end of the simulation.

I attached error message. You can see.

What is the reason of this problem?

Thanks,