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abacusmodeling / abacus-develop

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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Program exits abnormally #224

Closed zjdai closed 2 years ago

zjdai commented 2 years ago

Describe the bug

Expected behavior

No response

To Reproduce

Fe.tar.gz

Environment

No response

Additional Context

No response

dyzheng commented 2 years ago

"cal_force" and "cal_stress" is not supported with SOC