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BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTMachine LearningIssues related to the DeePKSIssues related to the DeePKS
Description
Describe the bug
After careful check, I found the V_delta_R output directly from ABACUS is different from the result calculated by gev and vdrpre in some elements. There might be mistakes somewhere.
Expected behavior
The value calculated by these two methods should be close.
To Reproduce
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Environment
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Additional Context
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- Steps to reproduce.
- Expected behavior.
- Error message.
- Environment details.
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BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTMachine LearningIssues related to the DeePKSIssues related to the DeePKS