EasySpin forum

Hello I am using Easyspin 5.2.35. I would like to fit temperature and field-dependent data with CURRY. However, my field-dependent data are not measured at the same fields for given temperatures. To better explain, I do NOT have the data set as it is expected T(K) Magnetization B(mT) 2 value 1000 2 ...

The Hamiltonian for V(IV)-Co(II) system should be H = J(S1 S2)+ lsoc(S2 L2)+mB B (gS1+gS2-L2) where 1=V, 2=Co and there is the isotropic exchange between spins, spin-orbit coupling between S2 and L2 and Zeeman term. Next level is to include also CF terms for L2. Similar system can be operable also f...

The Hamiltonian should be e.g. for V(IV)-Co(II) system, where V(IV) has S=1/2 and L=0, octahedral Co(II) is described by Griffith-Figgis Hamiltonian, S=3/2 and L=1. However, when one L is zero, muMB is negative, as posted before. If I change system to Co(II)-Co(II) like this clear, clc, clf; close a...

Dear Stefan thank you very much for the updates. However, I guess I have found some bug regarding the calculation of magnetic moment - muBM for dimer with L. Here is input: clear, clc, clf; close all; cm = 100*clight/1e6; % Conversion constant from cm-1 to MHz %Co-V Sys.S = [3/2 1/2]; Sys.L = [1 0];...

Hello I have found a discrepancy in meff for Yb3+ ion. cm = 100*clight/1e6; % Conversion constant from cm-1 to MHz %Yb3+ LS Sys.S = [1/2]; Sys.L = [3]; Sys.orf = [1.0]; Sys.soc = [2910]*cm; Sys.g = [2.0023]; Sys.CF2 = cm*[0 0 0 0 0]; Opt.Output = 'mueff'; Opt.Units = 'SI'; Exp.Temperature = 300; Exp...

Dear developer I tried to use EasySpin 6.0.0-dev.31 for a dinuclear system in which one center has spin and angular momentum and the second center has only spin. cm = 100*clight/1e6; % Conversion constant from cm-1 to MHz Sys.S = [3/2 1/2]; Sys.L = [1 0]; Sys.soc = [392; 0]*cm; Sys.g = [2.0; 2.0]; J...

Thank you for help. Finally, I solved it with this one line command: writetable(struct2table(BestSys), 'D:\MATLAB\myfitparam.txt') which creates txt file with following content: g,Nucs,A_1,A_2,A_3,lwpp_1,lwpp_2,weight 2.00623559139005,"N,P,H",38.7415138085437,133.047458565127,35.1752243125...

Hello, is there possibility to printout after fitting the EPR spectrum with ESFIT also parameters of lsq1 (FitOpt.Scaling = 'lsq1';)? And also I would like to ask how to directly print to text file info about best fit parameters after finishing ESFIT? ESFIT print to MATLAB console e.g. Best-fit para...

Thank you for help.
So this is the way to do calculation for one set of parameter.
But evidently, it is not suitable for ESFIT, maybe in some of next releases.

Once more thank for help

Radovan