| Hi, In passing I would like to add that, if your material is actually insulating, you can still compute non-resonant spectra. I guess you used the smearing just to find the magnetic ground-state. If this applies to your case, you can also compute the Raman spectra using finite displacements and finite electric fields. You can either do it by hand (there are also some routines in the FD module of the PHonon package), or use a python plugin we developed that automates these calculations for you. If you want to have a look, this is the documentation: https://aiida-vibroscopy.readthedocs.io/en/latest/ Happy to give you some pointers if you are interested in using it. Best regards, Lorenzo Bastonero Il giorno 2 ott 2025, alle ore 21:09, Lorenzo Paulatto <[email protected]> ha scritto:
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