QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: xliben on November 18, 2016, 14:41

Title: Plotting Band structure in Origin
Post by: xliben on November 18, 2016, 14:41

Dear Everyone,
       I have a  question: I want to plot the bandstructure via graphical software like Origin, however, when I export all the data , and import them into origin, I found out that I cannot adjust the range. I got all the bands in [-20,20],
       I am hoping anyone could give me an advice on how to replot the bandstructure in a good range  also how to put letter W X R  T  in horizantal axis?
       Thank you! Best regards.

Title: Re: Plotting Band structure in Origin
Post by: Ulrik G. Vej-Hansen on November 18, 2016, 15:30

Could you please upload the exported data? Then we can have a look if everything is as it should be.

For support on how to plot things in Origin, I suggest that you contact their support channels.

Title: Re: Plotting Band structure in Origin
Post by: xliben on November 18, 2016, 16:45

Thank your for reply,I apreciate that, this is an attachement for band structure.

Regards

Title: Re: Plotting Band structure in Origin
Post by: Petr Khomyakov on November 19, 2016, 17:10

You can plot the band structure in the VNL. Did you have any problems with the band structure calculation and/or plotting of the band structure in the VNL-ATK?  For any Origin software-related issues, please contact their helpdesk. 

Title: Re: Plotting Band structure in Origin
Post by: xliben on November 19, 2016, 17:20

Thank you for reply , do you have please any tutoriel to do this (import band structure from castep to  VNL).

Title: Re: Plotting Band structure in Origin
Post by: Petr Khomyakov on November 19, 2016, 17:28

You may have a look at this one at http://docs.quantumwise.com/tutorials/crystal_bandstructure/crystal_bandstructure.html.

Title: Re: Plotting Band structure in Origin
Post by: xliben on November 19, 2016, 17:39

Thank you very much, it is  very clear now,I appreciate that.

Title: Re: Plotting Band structure in Origin
Post by: Petr Khomyakov on November 20, 2016, 15:51

To add to the post, you may import or export atomic geometry of your system from or into CASTEP's format, respectively, but not really importing the band structure calculated in CASTEP to VNL, at least to the best of my knowledge.