EasySpin forum

Ah, great. Thank you very much!

Thank you. I tried that, but there appears to be no difference associated with a change in spin. I am running the following code: close all figure(1) Sys = struct('g',[2.24 2.24 1.92],'Nucs','56Fe','A',[20,20,85]); Sys.tcorr = 5e-9; Sys.S=5/2; Exp = struct('mwFreq',4.65,'Range',[20,620],'nPoints',5e...

Thank you. I tried that, but there appears to be no difference associated with a change in spin. I am running the following code: close all figure(1) Sys = struct('g',[2.24 2.24 1.92],'Nucs','56Fe','A',[20,20,85]); Sys.tcorr = 5e-9; Sys.S=5/2; Exp = struct('mwFreq',4.65,'Range',[20,620],'nPoints',5e...

Great! Thank you.

How do I control the number of paired/unpaired electrons for the purpose of the simulation. I had trouble finding information about this in the documentation. Suppose, for example, that I was interested in simulation of S=5/2 iron. How could I do this?

At the moment, I am simply playing with chili in order to simulate slow motion dynamics of iron-catechol complexes. I have a fairly naive question, centered on the following code: Sys = struct('g',[2.24 2.24 1.92],'Nucs','56Fe','A',[20,20,85]); Sys.tcorr = 5e-10; Exp = struct('mwFreq',4.65,'Range',[...

Hey all, If I understand correctly, chili should be compatible with the MOMD approach ( http://www.sciencedirect.com/science/article/pii/S1064185896901138 ) described by Budil et. al. However, they describe a Lorentzian linewidth tensor -- Wxx, Wyy, and Wzz in their notation -- which is distinct fro...

That works, thanks!

Hey, I'm trying to determine whether the Chili simulation and nonlinear fitting function in EasySpin is a viable alternative to the NLSL distribution from ACERT. It seems that it should be able to operate identically. However, I am having trouble reproducing the sample-data that are released in the ...