Author Topic: Export data Bandstructure -problem  (Read 3274 times)

0 Members and 1 Guest are viewing this topic.

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Export data Bandstructure -problem
« on: December 6, 2016, 20:05 »
I want to export data in *.dat format and only need the two columns. I am always getting *.txt files and 4 columns. VNL 2015 used to work fine if I exported from the 2D plot bandstructure. The BS 2D plot is also missing in 2016. Please correct this so I can export 2 columns in .dat.
I tried renaming the files but then the columns are not properly recognized in plotting software as Origin.

Offline Martin_QW

  • Regular QuantumATK user
  • **
  • Posts: 10
  • Country: dk
  • Reputation: 1
    • View Profile
Re: Export data Bandstructure -problem
« Reply #1 on: December 7, 2016, 12:49 »
We decided to remove the Bandstructure 2D plot since the Bandstructure Analyzer does the same, along with the ability to do band measurements. We forgot to add the option to export the data like in the old tool (I have reported a bug about this). For now you can use the Compare Data tool for exporting the data in the same format as the old plotter. 

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5411
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: Export data Bandstructure -problem
« Reply #2 on: December 7, 2016, 17:04 »
You can also click the "Text representation" tool on the toolbar in the main window in VNL.

Note that there is no such thing as a standardized ".dat" format; each software that read/use that extension define on their own what the file should look like.

I wonder what makes you prefer Origin over the plot made in VNL, which has all the labels etc you need already - you will just have to add them manually in Origin which will be a lot of work for nothing, since VNL already makes a nice plot for you. So what's missing in VNL, that Origin can do? Maybe some simple feature we can add?


Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Re: Export data Bandstructure -problem
« Reply #3 on: December 9, 2016, 17:42 »
Yes, features like changing font size of the axes (and adding formulas/ symbols in axes), width of ticks, control over number of ticks etc., exporting with desired resolution 600/300 dpi in differente formats like .eps / .tiff etc. That would be nice.

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5411
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: Export data Bandstructure -problem
« Reply #4 on: December 9, 2016, 18:16 »
Yes, features like changing font size of the axes (and adding formulas/ symbols in axes), width of ticks, control over number of ticks etc., exporting with desired resolution 600/300 dpi in differente formats like .eps / .tiff etc. That would be nice.

* Export in tiff and eps is possible already in the BandStructure Analyzer
* Label (at least of vertical axis) can be changed freely, incl. math (TeX) in the BandStructure Analyzer - font size not at the moment
* Ticks etc, sure, we can look into that (and plan to) but on the other hand, you have to struggle quite a bit with Origin to get the symmetry labels in the right positions ;) So if you export to Origin just to customize y-ticks, I think that's a bit foolhearted.

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Re: Export data Bandstructure -problem
« Reply #5 on: December 10, 2016, 19:13 »
Maybe, but also a little more about selecting range would be good, like I want a specific range say +2 to -2 eV. Its better to enter with keyboard than try with the zoom tool.
You can add free form drag and move for controlling the legend position.
Option to turn fermi level and other markers on/ off.
Some annotation tools like textbox and arrows etc.
These things would be handy.
All the graphs are fine for viewing, the only problem happens when making them into camera ready graphics for publishers.
Also A very useful thing would be a "make default" option for these cutomizations. If someone needs a large no. of plots with same layout and quality.

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5411
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: Export data Bandstructure -problem
« Reply #6 on: December 11, 2016, 09:18 »
Thanks for the ideas! Some are probably quite easy, others harder (like dragging) since we don't implement our own plot engine, we use matplotlib, which is very flexible but afaIk doesn't support interactive editing like dragging. But the other points are doable, I think.

Importantly, selecting the range byt typing, is already available!

When you mention "camera ready", did you make sure to try the EPS export option?

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Re: Export data Bandstructure -problem
« Reply #7 on: December 12, 2016, 10:54 »
Yes. In windows sometime there are errors in saving in formats other than .png , but could be problem on my system also.

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5411
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: Export data Bandstructure -problem
« Reply #8 on: December 12, 2016, 16:38 »
You are welcome to follow up on that with a bug report at support@, with details (like error messages etc). I have no problems to export as EPS, TIFF, etc.