Messages

1

General Questions and Answers / Re: The error occurred while install ATK2016 on surface (windows10)

« on: January 10, 2017, 15:53 »

Dear Anders Blom,
 
        I have sucessfully installed now.  Thanks for your help!

2

General Questions and Answers / The error occurred while install ATK2016 on surface (windows10)

« on: January 6, 2017, 06:21 »

Hello, everyone!

        An error occurred while install ATK2016 on surface (windows10). I have post the error. Can you help me ?   thanks!

3

General Questions and Answers / Re: why my color bar is always red when calculate transmission pathway?

« on: January 30, 2013, 10:34 »

Thank you very much!

I will buy a dedicated graphics board later. Is there any requirement on the dedicated graphics board ? 1G or 2G?

4

General Questions and Answers / Re: why my color bar is always red when calculate transmission pathway?

« on: January 30, 2013, 10:05 »

I use windows 7 (64 bits) operater system, and my mainboard is （GIGABYTE）GA-B75M-D3H(Intel B75/LGA 1155).

Thus, my graphics card is integrational.

How can I get the latest graphics drivers?

5

General Questions and Answers / why my color bar is always red when calculate transmission pathway?

« on: January 30, 2013, 08:21 »

Hello, everyone!

Now, I am calculating transmission pathway by using ATK-11.2.3. However, my color bar always shows red. That's why? who can help me ?

Thanks!

6

General Questions and Answers / How to obtain the electron matrix elements of the Hamiltonian and overlap?

« on: March 31, 2012, 09:53 »

Dear Prof.
I am a user of ATK. I just want to obtain the electronic matrix elements of the Hamiltonian and overlap which can calculate in the "Siesta". Can it obtain from the ATK and how to operate? thanks!

7

General Questions and Answers / Re: How to calculate upspin/dnspin current of AP/P state?

« on: August 4, 2011, 04:56 »

I have read the tutorial, but still can't get the spin up/down current.(I can only get one current value by using ATK11.2.3)

8

General Questions and Answers / Re: Why more difficult to converge by using ATK2011.2.2?

« on: May 13, 2011, 16:25 »

Dear Anders Blom:

       Firstly, thank your reply!

       However, the transmission spectrums at zero bias are consistently very well !
      

9

General Questions and Answers / Re: Why more difficult to converge by using ATK2011.2.2?

« on: May 13, 2011, 13:52 »

Dear nori ！

   It is indeed benifit for converge when we use single contour. However, it is still

more difficult to converge than ATK-2008.10 and there are some bias voltage still

can not converge to the requested tolerance more than 100 steps.

   More importantly, the reluts are very different from ATK-2008.10? why?

   What should I do ?

10

General Questions and Answers / Re: Why more difficult to converge by using ATK2011.2.2?

« on: May 12, 2011, 08:37 »

Thank your patient reply!

11

General Questions and Answers / Re: Why more difficult to converge by using ATK2011.2.2?

« on: May 11, 2011, 18:05 »

Thanks!

I mainly understand you!

I have read the Reference Manual and Ref.[23]. However, still have one question.

Compare to DoubleContour, whether the SingleContour have large effect on result

and whether the bound state unconsidered in all the older versions (such as ATK-2008).

12

General Questions and Answers / Re: Why more difficult to converge by using ATK2011.2.2?

« on: May 11, 2011, 14:16 »

Thank you very much!

In other words, we will use (contour_type=Left) at the negative bias voltage?

However, what is the DoubleContourIntegralParameters used for ?(It is Poor convergence)

13

General Questions and Answers / Re: Why more difficult to converge by using ATK2011.2.2?

« on: May 11, 2011, 12:50 »

Thanks for your reply!
 
Whether only change DoubleContourIntegralParameters to SingleContourIntegralParameters?

14

General Questions and Answers / Why more difficult to converge by using ATK2011.2.2?

« on: May 11, 2011, 11:07 »

Hello, everyone

    For the same system and the same parameters, it can be converged  with 39 setps by using ATK2008.10 while did not converge to the requested tolerance more than 100 steps by using new version ATK2011.2.2? (The py file except for configuration post below )

   Moreover, it can't  set verbosity_level in ATK2011, the output file is too large and it is diffcult for user read.

15

General Questions and Answers / Re: Why the color bar is always red?

« on: April 22, 2011, 11:24 »

I get the same picture with a different computer.