QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: HIMANI on August 6, 2015, 06:56

Title: DOS
Post by: HIMANI on August 6, 2015, 06:56

Hello Sir,
I want to plot the DOS curve as shown in your tutorial "Doping in ATK: the Ni silicide - Si interfaces" . What I need is the third colorful plot mentioned in section 6.1. I have followed the steps mentioned in the tutorial but it is showing list index error while running the first command.  Please suggest a solution.

Title: Re: DOS
Post by: Jess Wellendorff on August 6, 2015, 09:47

Dear HIMANI.

There can essentially be two reasons for such errors: Either your python script does not match the one that was used when writing the tutorial, or the tutorial was made for a different ATK version. It is very hard for us to figure out what the reason is without seeing the script you are running. Could you please attach it to this thread?

Title: Re: DOS
Post by: HIMANI on August 6, 2015, 12:28

Sir,
I have used the same script which you have mentioned in the tutorial and version I am using is ATK 2014.1.

Title: Re: DOS
Post by: HIMANI on August 9, 2015, 22:48

Sir, I have read the script and it is for a device configuration but my structure is bulk config. How can I achieve this plot for bulk config.

Title: Re: DOS
Post by: Umberto Martinez on August 10, 2015, 16:28

Please, update to the latest stable release which is ATK 2014.3
http://quantumwise.com/products/download

About the DOS plot, try to use BulkConfiguration instead of DeviceConfiguration and DeviceDOS with DOS.
Not tested :)