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Workflow for 2D materials with SOC (spin orbit coupling) #99

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cpignedoli opened this issue Sep 15, 2022 · 0 comments
Open

Workflow for 2D materials with SOC (spin orbit coupling) #99

cpignedoli opened this issue Sep 15, 2022 · 0 comments
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@cpignedoli @AndresOrtegaGuerrero
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enhancement New feature or request

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@cpignedoli
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Use inputs available from Bruno that we have to test before
-compute bandstructure
-allow computing KS states for specific k-points in specific bands
-allow showing KS orbitals for the available computed KS (that can be updated by computing new ones)
-PDOS resolved on atoms and angular momentum
@cpignedoli cpignedoli added the enhancement New feature or request label Sep 15, 2022
@yakutovicha yakutovicha removed their assignment Mar 6, 2024
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@cpignedoli cpignedoli

@AndresOrtegaGuerrero AndresOrtegaGuerrero

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@yakutovicha @cpignedoli @AndresOrtegaGuerrero