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Add Spin-orbit coupling as a main button #981

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edan-bainglass opened this issue Dec 16, 2024 · 4 comments
Open

Add Spin-orbit coupling as a main button #981

edan-bainglass opened this issue Dec 16, 2024 · 4 comments
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enhancement New feature or request

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@edan-bainglass
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Make it a main button below the one for magnetism.

  • Name it: "Spin-orbit coupling": "Off" and "On" like magnetism, with Off by default

  • Make sure this also goes into the default label (add "with spin orbit")

@edan-bainglass edan-bainglass added the enhancement New feature or request label Dec 16, 2024
@edan-bainglass edan-bainglass self-assigned this Dec 16, 2024
@edan-bainglass
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@AndresOrtegaGuerrero do you already have a PR for this? I know you've already handled the label in #954. If you're not already handling moving the widget to basic, I got it.

@edan-bainglass
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edan-bainglass commented Dec 17, 2024

image

@cpignedoli @giovannipizzi thoughts? (ignore the capitalization ("Electronic Type") - that will be addressed throughout in a separate PR)

@giovannipizzi
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lgtm!

@cpignedoli
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Super @edan-bainglass. We will probably have to add in a different PR some warnings/info on the pseudopotentials to be used and on the fact that one should consider doing geoopt without SOC in "some cases". What do you think?

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