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POTENTIAL ALLELECTRON cann't be recognized by CP2K #26

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tctgi opened this issue Jul 5, 2024 · 1 comment
Open

POTENTIAL ALLELECTRON cann't be recognized by CP2K #26

tctgi opened this issue Jul 5, 2024 · 1 comment

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@tctgi
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tctgi commented Jul 5, 2024

Dear developers,

I found this issue when I tried to use all-electron potential in CP2K:
image

Instead, using ALL would solve the problem.

Best wish,
tctgi

@pierre-24
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Interesting. I always though that this was just a label and that you can use any of them (that's how it works for basis sets, at least). I'll look into that :)

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