Author Topic: Transmission pathway per kpoint  (Read 3919 times)

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Offline jalmeida

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Transmission pathway per kpoint
« on: July 18, 2024, 16:02 »
Dear  :)

Please, is there a way to calculate the transmission pathway for a specific kpoint? I saw the documentation, but the "kpoints" flag only accepts intergers, so maybe we can just set the number of points in A and B direction.

Joseane

Offline Anders Blom

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Re: Transmission pathway per kpoint
« Reply #1 on: July 29, 2024, 23:45 »
Interesting idea. It might work to provide a MonkhorstPackGrid with a single point but a shift applied, i.e.
MonkhorstPackGrid(na=1, nb=1, k_point_shift=[0.1,0.1])
to compute the pathways at (0.1, 0.1).

You'll have a lot of k-points to scan over though...

Offline jalmeida

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Re: Transmission pathway per kpoint
« Reply #2 on: August 13, 2024, 15:00 »

Great! Thank you.

Best,
Joseane