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Thank you for your complete and comprehensive answer. That clarifies the problem.

Kind regards

Hallo, I have a question about spin system definition. We declare S and L, for example: Sys = struct('S', 3/2, 'L', 6, 'g', [gr gw]); % one spin 1 associated S = 3/2 (3 electrons), L = 6. S and L there are the same, however the total angular momentum J may be different. Two different rare-earth elem...

Hi, I have system: System = struct('S', 1/2, 'L', 3, 'g', [2.3 3.2]); The EasySpin function resfields() to easily calculate the resonance fields for this system. However, the function resfields_perturb () reports an error: Error using resfields_perturb Perturbation theory not available for elctron s...

Hi all, I would like to ask about the Wigner-Eckart theorem. Are Wigner-Eckart theorem and Reduced Matrix Elements included in the calculations? I am interested in 4f n, and 5f n ions ( lanthanides and actinides). Wigner-Eckart theorem and Reduced Matrix Elements are very important. Best wishes for ...