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@maki49 maki49 commented Nov 17, 2024

Some PP files do not have nonlocal beta orbitals, e.g. H LDA GTH potential. Then the present code will produce a segment fault.

@maki49 maki49 requested a review from jinzx10 November 17, 2024 03:52
@mohanchen mohanchen added Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes labels Nov 19, 2024
@mohanchen mohanchen merged commit f68dc9f into deepmodeling:develop Nov 19, 2024
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
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Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes

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