Should nscf support cal_stress or cal_force?

[Qianruipku]

Describe the bug

Now ABACUS do not calculate stress or force in nscf.

But anyway, there is a bug now. When using nscf, and json will try outputting stress, although no stress are calculated.
It will cause segmental fault.

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).

[mohanchen]

@pxlxingliang could you provide some advices?

[pxlxingliang]

If no user need force/stress in nscf, it seems this function is unnecessary.

The bug @Qianruipku mentioned is actually the mismatch of ABACUS INPUT and ABACUS actions, that is user set cal_force or cal_stress to True, but ABACUS do not do the calculation.

I suggest that in the INPUT reading function, when the calculation is set to nscf and cal_force or cal_stress is set to True at the same time, ABACUS throw a warning (to tell user that ABACUS do not support the calculation of force and stress in nscf), and modify cal_force and cal_stress to False.

In function add_output_cell_coo_stress_force(), only when cal_force or cal_stress is set to True, it will try to output the value, which I think is reasonable and not a bug.