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Damian Marek
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I would start with this tutorial:

Diffraction Efficiency and Diffraction Angle Based on Grating Unit Cell

Also from a glance at your simulation I found that your Input plane and detectors were not placed optimally 🙂

When using PML boundaries you should try to keep the input plane and detectors away from the boundaries as this is where the field is being absorbed and will affect the accuracy of the simulations. Try keeping them about half the wavelength away and that should be sufficient.

Regards,
Damian

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