band structure

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celina_sikorska
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band structure

#1 Post by celina_sikorska » Sun Nov 14, 2021 11:57 pm

Hello,

I would like to ask for any advice on how to solve the band structure issue. My band structure unexpectedly contains flat bands and vertical lines. Would you advise me on how to solve this issue?

Thanks in advance for your help and any suggestion.
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henrique_miranda
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Re: band structure

#2 Post by henrique_miranda » Mon Nov 15, 2021 12:01 pm

Looking at the band structure file and your input files I don't see anything obviously wrong.
The flat states can be due to molecular states that are localized in your system.

I don't understand what you mean when you say that there are vertical lines in your plot.
I assume you are using some external tool to perform these band-structure plots.
You might have to seek help on how to use the plotting tool near its developers.

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