Messages

1

General Questions and Answers / Re: Building type 1, 2, 3 quaternary heusler alloy

« on: May 8, 2024, 12:21 »

Hi,

Thank you for your reply. I used 24*24*24 K points which I took from some reference paper.

2

General Questions and Answers / Random Swap of Elements

« on: May 7, 2024, 14:38 »

Hi everyone,

How to randomly swap 2 elements in a alloy using Quantum ATK?

Thank you

3

General Questions and Answers / Re: Building type 1, 2, 3 quaternary heusler alloy

« on: May 7, 2024, 11:59 »

Hi,

Thank you for your reply. I tried calculating DOS but it is coming as straight line peaks instead of curve. I am curious to know the reason of unusual dos peaks.

Thank you

4

General Questions and Answers / Re: Building type 1, 2, 3 quaternary heusler alloy

« on: April 29, 2024, 14:41 »

Hi,

Thank you for your reply. I want to know how to build quaternary heusler alloy of Y, L2, B2 and D0 type.

Thank you

5

General Questions and Answers / Building type 1, 2, 3 quaternary heusler alloy

« on: April 22, 2024, 17:00 »

Hi everyone,

How to build type 1, 2, 3 quaternary heusler alloy with varying composition?

Thanks

6

General Questions and Answers / Length of left and right electrode

« on: January 26, 2024, 10:22 »

Hi everyone,

During device building, the length of left and right electrodes are sometimes unequal. How to make that equal? On what factors the length depends?

7

General Questions and Answers / Output file of IV is not printing

« on: January 24, 2024, 11:03 »

Hi everyone,

I am trying to calculate IV, but I can't find any output file and my job is showing running. I can see the values in the running file but at the end there is no printed IV data. I am attaching screenshot for your reference. Please help.

8

General Questions and Answers / Re: Device design

« on: January 23, 2024, 09:52 »

Hi Anders Blom,

Thank you for your reply. I tried with simple structures (only 1 monolayer) and it is working fine. But for the current structure, it is not considering structure as a device (device builder is not enabled). I think I am missing something with the repetition of electrode part or with the direction (always keeping C and Z in same direction). Could you please suggest how to extend left and right sides as I can see it is done automatically. Also, even though C and Z are in same direction, the device builder is disabled.

Thank you

9

General Questions and Answers / Re: Device design

« on: January 19, 2024, 09:36 »

Hi Anders Blom,

Thank you for your reply. Could you please let me know how to do left and right lead repetition semi infinitely , as I always find that builder itself do this and  there is no option to do it by myself. Please elaborate in details. It will be a great help.

10

General Questions and Answers / Re: Device design

« on: January 17, 2024, 12:33 »

Hi everyone,

Let me know about the possibility in this. I tried building this device, but after making structure, the device builder icon is not active.

Please help.

Thanks

11

General Questions and Answers / Re: Optimize Cell Error

« on: January 15, 2024, 18:00 »

Thank you for your reply. I will look into it.

12

General Questions and Answers / Re: Device design

« on: January 15, 2024, 10:20 »

Hi everyone,

Please let me know the possible answer. It will be a great help.

Thanks

13

General Questions and Answers / Re: Optimize Cell Error

« on: January 15, 2024, 10:18 »

Hi,

PFA the full script and output.

Thanks

14

General Questions and Answers / Device design

« on: January 12, 2024, 14:02 »

Hi,

I want to design below attached hetero structure device and further want to calculate IV. Please let me know how to design this type of device. My main concern is to design device having leads on the top of device only.

Thanks

15

General Questions and Answers / Re: Error: TIME LIMIT

« on: January 8, 2024, 10:59 »

Thank you for reply.