Floating-point error due to CBM = inf in latest ABACUS version #6909
Description
Describe the bug
When running the latest version of ABACUS on the 007_H2O system, the conduction band minimum (CBM) is computed as infinity, whereas this issue does not occur in version 3.9.0.19. This discrepancy leads to a floating-point error on the Sunway (SW) platform.
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
- Verify the issue is not a duplicate.
- Describe the bug.
- Steps to reproduce.
- Expected behavior.
- Error message.
- Environment details.
- Additional context.
- Assign a priority level (low, medium, high, urgent).
- Assign the issue to a team member.
- Label the issue with relevant tags.
- Identify possible related issues.
- Create a unit test or automated test to reproduce the bug (if applicable).
- Fix the bug.
- Test the fix.
- Update documentation (if necessary).
- Close the issue and inform the reporter (if applicable).