Bug: DFTU calculation cannot finish normally - Githubissues

deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

http://abacus.ustc.edu.cn

GNU Lesser General Public License v3.0

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Bug: DFTU calculation cannot finish normally #5438

Closed WHUweiqingzhou closed 2 weeks ago

WHUweiqingzhou commented 2 weeks ago

Describe the bug

In /abacus-develop/tests/integrate/260_NO_DJ_PK_PU_AFM_URAMPING, I get the error, GDB find the error is .

Expected behavior

Please fix it.

To Reproduce

No response

Environment

No response

Additional Context

No response

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