EasySpin forum

Hello! Using pepper, I'm simulating the separate transitions of one spin 1/2 and one spin 3/2: Sys.S = [1/2; 3/2]; Sys.g = [8; 2]; Sys.ee = 0; Exp = struct('Range', [1, 1000], 'mwFreq', 9.7601, 'Harmonic', 0); Opt.Output = 'separate'; [x,y,tr] = pepper(Sys,Exp,Opt); There are 10 transitions shown in...

My sample is a frozen solution. By "very general fashion" do you mean, that the documentation only describes the single crystal case and, in contrast, for a powder spectrum/sample Apa is given in the g frame? Or is Apa always given in the g frame and the documentation is wrong? That's what...

Hi Matt, thanks for the fast answer! ...don't know if we are talking about the same thing, here.*hm* I don't want to shift Apa vs. gpa at this point. Quoting the EasySpin homepage, Apa and gpa both refer to the molecular frame, so setting gpa=Apa means g and A should be co-linear. And if I change Ap...

Hello! I have one electron, hyperfine coupled to one deuteron, i.e. g tensor, A tensor and their respective orientations gpa and Apa. I want to simulate HYSCORE powder spectra at different field positions. As far as I know, if g and A have the same orientation (Apa = gpa), I should get the same resu...

Found a missing sign in my second to last post but that wasn't the problem in the first place. I don't know why it works know, I didn't change anything. :roll: But MatLab messes with my stuff from time to time, anyways. Thanks again for the effort, thanks for the explanation of how eulang works! Nex...

I get the same.

Concerning your first answer: Hy_A_eu = [Hy_A_phi, Hy_A_theta, Hy_A_psi]; is commented, you just show the results by eulang. Which value do you have for Hy_A_psi?

I want to reproduce some older simulations and don't know how EasySpin is internally processing g/A and gpa/Apa. Therefore I want to calculate the orientations on my own and hand over 3x3 g and A matrices to saffron. But it doesn't not except full g matrices. Please find the working example below. -...

Hallo Stefan,

thanks for the answer!
I don't know why, but for me the switch seems essential. Without:

Hello, I want to do orientation selective HYSCORE simulations using saffron and actually it's two problems I'm encountering... 1) The first one concerns the definition of atan2 in comparison to eulang. Below the text please find a set of parameters (first two sections) for an electron and a 2H nucle...