How to simulate decay of absorption

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Kob@yashi
Newbie
Posts: 4
Joined: Wed Sep 14, 2022 2:17 am

How to simulate decay of absorption

Post by Kob@yashi »

Hello all--after struggling for a while with no progress,
I was wondering if it was even possible to simulate this cobalt spectrum
I can't reproduce the decay of gz and overlap with gy. How can I simulate this spectra?
I have no idea what parameters I should add or change.Image

Sys.g = [2.0 2.173 2.55];
Sys.Nucs = 'Co';
Sys.A = [70 0.00001 130];
Sys.lwpp = [2.1 0.005];
Exp.mwFreq = 9.075;
Exp.Range = [200 380];
[B, spc] = textread('data.txt','%f %f');
Sys0 = Sys;
Sys0.g(1) = 2.13;
Sys0.g(2) = 2.173;
Sys0.g(3) = 2.53;
Vary.A = [5 0 5];
SimOpt.Method = 'perturb';
FitOpt.Method = 'simplex int';
esfit('pepper',spc,Sys0,Vary,Exp,SimOpt,FitOpt);

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スクリーンショット 2022-09-14 18.24.53.png
スクリーンショット 2022-09-14 18.24.53.png (633.67 KiB) Viewed 2145 times
Stefan Stoll
EasySpin Creator
Posts: 1108
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: How to simulate decay of absorption

Post by Stefan Stoll »

This might be a situation where Sys.gAStrain might be needed:

Code: Select all

Sys.gStrain = [0 0 0.03];  % setting only 3rd element, you might need to set 1st and 2nd as well
Sys.AStrain = [0 0 10];  % setting only 3rd element, you might need to set 1st and 2nd as well
Sys.gAStrainCorr = -1;
Kob@yashi
Newbie
Posts: 4
Joined: Wed Sep 14, 2022 2:17 am

Re: How to simulate decay of absorption

Post by Kob@yashi »

Thanks you sir. That code seem to work as I wanted !

One more thing, I want to fit the intensity of gz and gy absorption.Which code should I add or change ?

スクリーンショット 2022-10-11 13.10.26.png
スクリーンショット 2022-10-11 13.10.26.png (655.68 KiB) Viewed 2017 times
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