An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
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`vl_in_h 0` causes `segmentation fault: address not mapped` error for `basis_type lcao` calculation #3379
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kirk0830 opened 8 months ago
Describe the bug
For any examples (I choose examples/scf/lcao_Si2):
this will result in:
@QuantumMisaka helped check version-dependence, it is found this bug emerges after release of ABACUS 3.3.3
Expected behavior
No response
To Reproduce
No response
Environment
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Additional Context
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