Cu HYSCORE orientation selection

[EricWalter]

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)?

[Stefan Stoll]

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).