Author Topic: Modifying bands above and below fermi level for Bandstructure and DOS  (Read 70 times)

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Offline hsuya

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We can modify number of bands to be selected for above fermi level using "bands_above_fermi_level" . Can use to select total number of bands to be selected for below fermi level?
I just want to select the bands near the fermi level for bandstructure calculation. I don't need the so many bands so I want to limit the total number of bands to 40. How can I do it?

Offline Petr Khomyakov

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To the best of my knowledge, this feature is not available in Band structure analysis object. But typically, getting a band structure requires  a fast, post-processing calculation without a need for SCF calculation. If you want to speed it up, you may always use the KDotPExpansion method available for band structure calculations, see https://docs.quantumatk.com/manual/Types/Bandstructure/Bandstructure.html, which can be set through the GUI as well. That is especially useful feature for hybrid functional band structure calculations. If you need to view only limited number of bands, you may just zoom on the band structure region of interest in the Band structure analyzer.

Offline hsuya

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Instead of zooming in is there a way to make multiple bands not visible. In ploy editor we can click on individual bands and make the changes one by one. Can we do that either by modifying the script or using matplotlib?

Offline mlee

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You are right. You can edit each line invisibly using the plot editor. But we don't support the customized script for it.

Offline hsuya

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Can we plot it using matplotlib?