How can I get the beautiful bloch state figure?

[zdhlover]

Hi
  I have been repeat the tutorial----Graphene Bloch State Tutorial by ATK 13.8.1:
http://quantumwise.com/documents/tutorials/latest/GrapheneBloch/index.html/chap.blochstates.html#sect1.graphene_bloch.analysis

but I found that my color bar(Phase(radians)) in bloch state figure is from 0 to 2π as append files，how can I change my color bar(Phase(radians)) in bloch state figure as the tutorial  from 0 to 0.16?

[zdhlover]

 
Could you help me?
Thanks

[Anders Blom]

The screenshot in the tutorial is wrong, of course the phase should always be from 0 to 2pi. It was a mistake in, I think, ATK 13.8.0. We have new screenshots, we just forgot to update the online version of the tutorial. I will do that right away

[Anders Blom]

Btw, it's possible that you need ATK 2014 to be able to plot it correctly. There will be a preview version of that soon!

[zdhlover]

Btw, it's possible that you need ATK 2014 to be able to plot it correctly. There will be a preview version of that soon!

I'm glad to see  that a preview version of ATK 2014 will be soon, and I want to know two questions:
 
1, Do the the results of bloch state figure which plot with Viewer in ATK 13.8.1 are correct?

2,If they are wrong, could you  provide a plug-in which will get the correct results in the AddOn Manager, because we only have the license of ATK 13.8.1

[Anders Blom]

The data is correct, but it's not plotted correctly in VNL 13.8. This is listed as a known bug for 13.8.1 here:
http://quantumwise.com/publications/news-archive/246-atk-1381-update

You can obtain a separate license for 2014 for free (just the VNL part) for a limited time period, if you need to. Please contact us separately by email for that.

We cannot update this via a plugin because it's in the core code.

[zdhlover]

The data is correct, but it's not plotted correctly in VNL 13.8. This is listed as a known bug for 13.8.1 here:
http://quantumwise.com/publications/news-archive/246-atk-1381-update

You can obtain a separate license for 2014 for free (just the VNL part) for a limited time period, if you need to. Please contact us separately by email for that.

We cannot update this via a plugin because it's in the core code.

Thanks a lot
But we will do research through the ATK 13.8.1 all the time. Do you have a way under the premise of using ATK 13.8.1  get the right figures which are the  isosurfaces for Bloch states?

Btw, I hope that the high version of ATK best compatible the nc file of the low version.

[Anders Blom]

This is a very isolated issue, but if plotting Bloch states is one of your research priorities, then we have to figure out a way to help you, of course. ATK 2014 can open files from 13.8 (but not the other way around). Fixing this issue was rather complicated so we will not be able to do so in 13.8. The error only exists in 13.8 - it should be ok in 12.8 which you can use with your license. VNL 12.8 can't immediately open ATK 13.8 files, but there are ways to work around that.

[zdhlover]

This is a very isolated issue, but if plotting Bloch states is one of your research priorities, then we have to figure out a way to help you, of course. ATK 2014 can open files from 13.8 (but not the other way around). Fixing this issue was rather complicated so we will not be able to do so in 13.8. The error only exists in 13.8 - it should be ok in 12.8 which you can use with your license. VNL 12.8 can't immediately open ATK 13.8 files, but there are ways to work around that.

Thanks a lot

May be the way that we open ATK 13.8 files by VNL 12.8 is the correct method

BTW, do the plot of isosurface for other physical quantities in ATK 13.8.1 is correct?

[Anders Blom]

The isosurface itself is fine (also for Bloch states), it's only the coloring (of complex grids, like Bloch states) that's wrong.

If you need to open an NC file from 13.8 in 12.8, you should open the file in a proper editor (so, not Notepad or something silly like that, but "vi", "emacs", or "notepad++", etc), and find the version number, "13.8". Just change it to 12.8 (make a backup of course of the file first), and then try opening it in VNL 12.8. Don't use search and replace since there may be other instances of 13.8 in the binary data in the file.

[zdhlover]

I have been try opening it in VNL 12.8 through change the version number "13.8" to 12.8 with Notepad ++ v6.3.3,but I failure to do that,could you help me?

Dear, we feel that the nc file can't read with the different versions of ATK very inconvenient. And could you improve it?

Thanks a lot

[Anders Blom]

Right, I confirmed that the trick doesn't work from 13.8 to 12.8. Well, there is now a VNL 2014 to download so you at least can get the plots you need using a demo license for that.

It should normally never be a problem that we update the files, since you should not need to go back in versions - the upgrade path should always be forward in versions. But either way, we have to chance the file details as needed to support new features. Note also that VNL is always backwards compatible with older NC files. Forward compatibility is much harder to achieve, at least if we want to continue developing new features.