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out_mat_hs label does not supported in nscf calculations. #5466

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ErjieWu opened this issue Nov 12, 2024 · 0 comments
Open
16 tasks

out_mat_hs label does not supported in nscf calculations. #5466

ErjieWu opened this issue Nov 12, 2024 · 0 comments
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@YuLiu98
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Features Needed The features are indeed needed, and developers should have sophisticated knowledge

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@ErjieWu
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ErjieWu commented Nov 12, 2024

Describe the bug

Currently, the input parameter setting out_mat_hs=1 works only when calculation=scf, it should be available in nscf calculation as well.

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@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Nov 13, 2024
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