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@kirk0830 kirk0830 commented Nov 18, 2024

What's changed

I am exploring the possible accuracy of our numerical orbitals, so in my case the orbital with high angular momentum is of my interests. I find ABACUS can only read components with angular momentum lower than 5, this is not enough.

Linked Issue

Fix #5507

@mohanchen mohanchen merged commit 362fee1 into deepmodeling:develop Nov 19, 2024
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@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Nov 19, 2024
@kirk0830 kirk0830 deleted the fix-read-orb-lmax5 branch December 2, 2024 07:23
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
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Bug: ABACUS cannot support orbitals with components whose angular momentums are higher than 4

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