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The atomic magnetic moment result depends on the atomic orbital radius of basis
Describe the bug
I tested the energy difference of E(1.8 uB) - E(2.3 uB) for BCC Fe AFM state, and I found that the energy difference depends on radius of orbital heavily. This seems unreasonable. Further more the expected values is around 100 meV as obtained from VASP calculation. The SZ results is mostly closer to the VASP results, TZDP and DZP do not. I think that TZDP should give more precise results, rather than less precise results.
Expected behavior
I think that TZDP should give more precise results, rather than less precise results.
To Reproduce
TZDP(ccadd8),
DZP(7a9cbf),
SZ(981380)
Environment
No response
Additional Context
No response
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