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BugsBugs that only solvable with sufficient knowledge of DFT
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Converted from issue
This discussion was converted from issue #1796 on May 07, 2023 02:34.
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Describe the bug
Sr_BCC.zip

Using cell-relax calculation, the results showed in table above.
lattice constant from LCAO code changes larger than which with PW code.
Expected behavior
Different sigma setting should lead to similar results.
To Reproduce
No response
Environment
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Additional Context
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