EasySpin forum

code:

clear; clc; clf;

Exp.mwFreq = 9.8;
Exp.nPoints = 1e5;
Exp.CenterSweep = [350 3];

Sys2.Nucs = 'N,H,H';
Sys2.n = [2 4 4];
Sys2.A = mt2mhz([0.514 -0.193 -0.161]);
Sys2.lwpp = 0.01;
Sys2.logtcorr = -9;

ExchangeFreq = 20.*linspace(0.5,2,10);

for i = 1:numel(ExchangeFreq)
Sys2.Exchange = ExchangeFreq(i);
[b,spc(i,:)] = chili(Sys2,Exp);
end

%--------------------------------------------------------------------------
stackplot(b,spc);
xlabel('magnetic field (mT)');
h2 = findobj(gca,'Type','line');
set(h2,'linewidth',1.5);
grid on;

errors:

Error using chili
Opt.LiouvMethod='general' does not support spin exchange (Sys.Exchange).

Error in chili

Error in Untitled2 (line 18)
[b,spc(i,:)] = chili(Sys2,Exp);

How should I fix the code?

There's nothing you can do to fix it - Sys.Exchange is just not implemented in chili for spin systems with more than two nuclei.

Thank you for your answer and look forward to adding this feature in the later update of easyspin!
good luck!