Describe the bug
When using ABACUS-develop-v3.11.0beta3 for relaxation, the final structure's CIF file cannot be output after the calculation is completed.
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
Describe the bug
When using ABACUS-develop-v3.11.0beta3 for relaxation, the final structure's CIF file cannot be output after the calculation is completed.
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)