abacus-develop
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Refactor: Relate to PEXSI-related changes caused by refactor #4767
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[ ] Refactors related to HsolverLCAO See #4767 for details. Temporarily we can just add a pointer mark "*" and the program will run (fixes new issues in #4750), but eventually it seems that we will abandon pdiagh, so the problem remains.
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[x] PEXSI Driver version 2 introduce PPEXSIDFTDriver2 with better chemical potential $\mu$ guess, which drastically improves performance to get correct results, the pexsi_spin should always be set to 2