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Orbital projection VASP #16

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ctresca opened this issue Apr 4, 2022 · 1 comment
Open

Orbital projection VASP #16

ctresca opened this issue Apr 4, 2022 · 1 comment

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@ctresca
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ctresca commented Apr 4, 2022

Dear banduppy staff
First of all, thank you for the software.
However, I have a question, if it is trivial or if there is already an answer, I apologise but I could not find a solution.
I would like to get the unfolded bands projected onto the orbitals: the analogue of

./bandup --orbital
./bandup projected-unfold -at #
./bandup projected-unfold -orbs px...

how do i do it with banduppy? thanks
C.

@stepan-tsirkin
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Sorry, this is not implemented in banduppy. To implement it, one needs to parse the PROCAR file and apply the unfolding operator, quite analagous to what is implemented in BandUP.

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