The error message for broken STRU files is ambiguous

[QuantumMisaka]

Describe the Code Quality Issue

When the STRU file is broken, like

ATOMIS   # should be ATOMIC_SPECIES
12.011 C.upf
65.382 Zn_ONCV_PBE_FR-1.0.upf

NUMERICAL ORBITAL

ABACUS will give ambiguous error information pointing to ntype, misleading user to debug in INPUT but not STRU

So, meanful error message in the inputs formatting part should be implemented.

Additional Context

The above case was captured in the early version of ABACUS, please check if the newest ABACUS have the same problem.

Task list for Issue attackers (only for developers)

• Identify the specific code file or section with the code quality issue.
• Investigate the issue and determine the root cause.
• Research best practices and potential solutions for the identified issue.
• Refactor the code to improve code quality, following the suggested solution.
• Ensure the refactored code adheres to the project's coding standards.
• Test the refactored code to ensure it functions as expected.
• Update any relevant documentation, if necessary.
• Submit a pull request with the refactored code and a description of the changes made.

[mohanchen]

Thanks! We will try to fix this.