The optimization method does not support tcorr exchange systems

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YanQing
User
Posts: 14
Joined: Tue Dec 22, 2020 7:17 pm

The optimization method does not support tcorr exchange systems

Post by YanQing »

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?

Stefan Stoll
EasySpin Creator
Posts: 1050
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: The optimization method does not support tcorr exchange systems

Post by Stefan Stoll »

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.

YanQing
User
Posts: 14
Joined: Tue Dec 22, 2020 7:17 pm

Re: The optimization method does not support tcorr exchange systems

Post by YanQing »

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

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