[Dependency] Wavefunction container `source_psi` depending back on higher layers

[Critsium-xy]

Describe the Code Quality Issue

• Symptom: psi_prepare.*, setup_psi_pw.h include hamilt/hamilt.h, hsolver/diago_iter_assist.h, pw/vnl_pw.h, pw/structure_factor.h, pw/soc.h; laterally they also include cell/klist.h, basis/pw_basis_k.h.
• Fix: return psi to a pure container; move wavefunction initialization logic (which depends on vnl/structure_factor/hamilt/diago) to the callers (esolver/hsolver) or inject via interfaces. If cell/basis container types (klist, pw_basis_k) are pure data they may remain as same-layer references; otherwise decouple via forward declarations/interfaces.
• Acceptance: cut psi → hamilt/hsolver/pw.

Additional Context

No response

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.