EasySpin forum

It looks like you have some nonlinear baseline issues. Maybe try to correct them before fitting. Your spectrum clearly has two components. It could just be that you are stuck in a local minimum away from the global minimum.

Replacing symm with hamsymm in this file should work.

Thanks for reporting! Indeed, this seems to be a bug that needs a bit more work to fix. Please post an issue here: https://github.com/StollLab/EasySpin/issues

Other answer to 1.: EasySpin's curry calculates the magnetic susceptibility of an individual paramagnetic center and then multiplies the result by Avogadro's number (avogadro in EasySpin) to obtain the molar susceptibility.

Have a look here: https://easyspin.org/easyspin/documenta ... es.html#CL

This describes how to get axes from the Exp.SampleFrame Euler angles.

Repeat the nucleus and the hyperfine principal values several times. Example:

A1 = [10 12 45];
Sys.Nucs = '1H,1H,1H';
Sys.A = [A1; A1; A1];

Usually, EasySpin is used for isolated paramagnetic centers. If you post the link to a paper that shows EPR spectra of such or similar nanoparticles and also includes simulations, we can have a look and see if this could be done with EasySpin.

There is no 6.0-alpha1 tag on GitHub, and the symm function has been renamed to hamsymm in v6.0.0.

You can have a look at the history of hamsymm to get the version you want: https://github.com/StollLab/EasySpin/co ... /hamsymm.m

This is indeed a bug, thanks for reporting!