Topics

1

General Questions and Answers / Encountering some errors when running an ATK job

« on: October 9, 2013, 14:41 »

Hi everyone,

I am running an ATK job. However, the job terminates abnormally. The output file displays a message such as the following:

=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   EXIT CODE: 35072
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES

Can you give me some advices to solove the problem?

Thanks in advance.

2

General Questions and Answers / How to get the transmission spectrum as a function of electron energy E

« on: July 25, 2013, 23:10 »

Dear all,

Can you tell me how to get the transmission spectrum as a function of electron energy E as shown in Figure enclosed.

Thanks in advance.

3

General Questions and Answers / how to set the K point in the x and y direction

« on: June 14, 2013, 21:25 »

Dear all,

I just read the topic raised by zhangguangping: http://quantumwise.com/forum/index.php?topic=2333.0#.UbtqCnjNksc. It seems that the K point in the x and y direction plays an important role in the calculation of transmission function.

So I have a question: If I calculate a two-probe CNT device which contains a scattering region consist of three CNT primitive unit cells and two (left and right) semi-infinite CNT electrodes, is it not enough accurate to set an 1*1 K point in the x and y direction? How do I set an accurate K point?

Best,

 

4

General Questions and Answers / How to decide the size of the central region at the interface of the electrode

« on: June 13, 2013, 22:12 »

Hi all,

I want to construct the two-probe device using Device from Bulk in the DEVICE TOOLS. It is easy to select the electrode lengths. However, I don't know how to selece the size of the central region at the interface of the respective electrode.

Can you give me some advices?

Thanks in advance.

Kale

5

General Questions and Answers / MoS2 nanotubes

« on: May 18, 2013, 08:53 »

Dear Sir,

Now I am using the ATK 12.8.2. I want to build MoS2 nanotube, And I follow the instructions (http://www.quantumwise.com/publications/tutorials/builder/177-mos2-nanotubes). However, I can not get the MoS2 tube.

I just check my results and find that everything is good until I opened "Bulk Tools>Lattice Parameters" and selected "Cartesian" coordinates (9th step). I just find the lattice parameters in my model is different from the ones shown in the video(http://www.youtube.com/watch?v=t2_nlrW3_Qk&feature=youtu.be).

What is wrong?

Thanks in advance.

6

General Questions and Answers / a tool to determine if the electrodes are long enough

« on: April 12, 2013, 20:58 »

Dear Sir,

Now I am using the ATK 12.8.2. I want to use the script to determine if the electrodes are long enough before calculating the transmission spectrum. (the script I used can be found here: http://quantumwise.com/publications/tutorials/mini-tutorials/99). I droped it on the Custom builder icon in the main VNL window and then drop my two-probe geometry on the drop-zone labeled "Drop system here". However, I just find the information in the log file:

Traceback (most recent call last):
  File ".\zipdir\NL\GUI\Core\Runner.py", line 230, in run
  File ".\zipdir\NL\NanoLanguage\Builder.py", line 85, in dummyAnalyzerGenerator
NL.ComputerScienceUtilities.Exceptions.NLError: No analyzerGenerator defined. Use the method 'setAnalyzerGenerator()'
to set an analyzerGenerator

What should I do?

Thanks in advance.