delete redundant setting in STRU

[Satinelamp]

to calculate absorption spectra, the atom should be fixed as we already did in the STRU file.

Reminder

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• Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #4685

[mohanchen]

LGTM!