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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the abnormal total-stress values in Mn3ZnC system #266

Closed zjdai closed 1 year ago

zjdai commented 1 year ago

Describe the bug

Expected behavior

No response

To Reproduce

MnZnC-cell_relax.zip

Environment

No response

Additional Context

No response

dyzheng commented 1 year ago

It has transferred to https://github.com/deepmodeling/abacus-develop/issues/2169