EasySpin forum

I am trying to calculate the magnetization (or magnetic susceptibility) of a system composed by a Eu3+ ion coupled with a radical. The script did not seem to work and the calculation done by curry seems incosistent with the energy level structure and the EPR calculation performed with pepper. I have...

Dear Stefan, I am trying to calculate the harmonic=0 EPR spectrum of a single crystal containing three identical UNCOUPLED COLLINEAR spins 1/2 but I don't get the expected gparBosc^2 dependence of the Intensity (where gparBosc is the component of g parallel to the oscillating field in perpendicular ...

Thanks for the new version!
I noticed that it was something related to powder average because the single crystal simulations worked fine.

Dear Stefan, I attach hereafter the code that I used, that is very simple. I already checked that the parameters used in easy spin are in fact expressed in the formalism that I use (I checked both the eigenvalues and eigenvectors comparing with a program that I wrote in FORTRAN 90 and the matrix rep...

Dear Stefan, I am trying to simulate the ChiT (2-300K) and magnetization (0-5000mT) of a single lanthanide centre using curry. It works for many combinations of CF parameters but if I try the following: Sys.S=15/2; Sys.g=4/3; Sys.B2=0.2032*30000; Sys.B4=[7.1e-3 0 0 0 7.7e-3 0 0 0 0]*30000; Sys.B6=1....