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### Messages - issac7

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1
##### General Questions and Answers / Re: Question about the distances in the SlaterKosterTable
« on: October 24, 2023, 07:07 »
Thanks for replying. Sorry for the unclear question. The "d" I put earlier means the <distances=...> in the code. I am confused that the distances that determined the offsite hopping matrix fall out of the nearest atomic distance.

2
##### General Questions and Answers / Question about the distances in the SlaterKosterTable
« on: October 20, 2023, 09:46 »
Dear sir,
I'm doping DFTB calculations based on user specified Slater-Koster matrix according to
https://docs.quantumatk.com/tutorials/slater_koster/slater_koster.html#slater-koster-tight-binding-models-in-atk-se.
Here is my question: what does the distance "d" stands for?
I'm confused because the specified d is actually out of the nearest distance between atoms.
Code
``# Setup list of distancesepsilon = numpy.linspace(-0.20, 0.20, 41)distances = [ d_n1*(1.0+x) for x in epsilon ] + [ 0.5*(d_n1+d_n2) ]``
Looking forward to your replies. Thanks a lot.

3
##### General Questions and Answers / SK TB models
« on: October 17, 2023, 08:39 »
Dear sir,
Can i perform a next-nearest-neighbor or third-nearest-neighbor hopping calculation by specifying the hopping energy v.s. distance in Slater-Koster tight-binding models using ATK? Or it is just limited to the nearest form in Slater-Koster Table?

Best,
issac7

4
##### General Questions and Answers / Re: Eliminating spatial regions when viewing results?
« on: April 14, 2023, 04:59 »
Press R, or Viewer>View>R

5
« on: April 7, 2023, 11:39 »
Fortunately very easy :-) By pressing R on the keyboard, spatial regions are toggled on/off, both in the Builder and Viewer. You have to ensure that the 3D view is in focus by left-clicking in it with the mouse first. The option is also available in the menu, under Viewer>View

Thank you very much! The tip is greatly helpful!

6
« on: March 17, 2023, 11:09 »
Dear sir,
I'm using ATK 2022.12. When I was analyzing the transmission eigenstate using viewer, I found that the device_configuration was automately loaded. The problem is I couldn't find a way to delete the spatial regions, which makes the cut-plane hiddened.
I try to load the hdf5 file using 2022.03, while it couldn't be loaded due to different version issue.
Could u help me on this query? Thanks a lot.

7
##### General Questions and Answers / Device building: is that possible designing a p-n junction in the source region?
« on: October 13, 2022, 05:33 »
Hello all:
I'm trying to build a p-n junction (I dope 4 units as p-type, and 8 units as n-type) in the source region, while ATK Builder tool recognizes only the first unit as source.
Is that possible designing a p-n junction in the source region? Glad if you can help.

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