EasySpin forum

Dear all,
I am trying to fit Gd(III) epr spectra which has all features of powder pattern. And am trying to understand what kind of D convention should be used? Is there any advantage of using Dx Dy Dz, over sysD?

You can use either Sys.D = [D E] or Sys.D = [Dx Dy Dz], they are equivalent. See the Easyspin documentation on Sys.D here and the conversion equations here.