EasySpin forum

I am trying to simulate HYSCORE spectra for a copper system, I am seeing clear orientation selection in the experimental spectra. Will EasySpin predict the correct distribution of orientations if I include the full copper hyperfine parameters? Is there a way to include the copper hyperfine just to predict the powder pattern and not for the HYSCORE (I have lots of nuclei and it is already running slow)?

The orientation selection works if you include Cu in the spin system.

To speed up the simulation, use the product rule (Opt.ProductRule=1 and drop the calculation of HYSCORE peaks from the Cu (Opt.Nuclei = [2 3 4] if Cu is your first nucleus and you have 3 others).