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levelsplot with two site?

Posted: Mon Feb 14, 2022 1:13 am
by seradır

I want to demonstrate energy level diagram (levelsplot) of two paramagnetic site in the monoclinic cell (C2h). I calculated resonance signals of site1 (Fig. a) and site2 (Fig. c) with "pepper" function. I used separately "Opt.Sites=[1]" and "Opt.Sites=[2]" to show signal for each site.These signals should correspond the red marked transition of energy level at the Fig. e. But I can show only one site at the energy level diagram.

How can I show transitions belonging two site at the same diagram?

Energy Level diagram of two cite cell.JPG
Energy Level diagram of two cite cell.JPG (61.9 KiB) Viewed 3027 times

Re: levelsplot with two site?

Posted: Thu Feb 17, 2022 5:03 am
by katarkon

Just use hold on; and call levelsplot for each spin system. Here a brief example.
clear, clf

Sys.S = 1/2;
Sys.Nucs='63Cu';
%Sys.n=[1 4];
Sys.A=mt2mhz([1400])/10;

mwFreq=9.645;
Par.ColorThreshold=1.090;

B = [50 550]; % mT
hold on;
levelsplot(Sys,'x',B,mwFreq,Par);
Sys.A=mt2mhz([800])/10;

levelsplot(Sys,'z',B,mwFreq,Par);
hold off;


Re: levelsplot with two site?

Posted: Thu Feb 17, 2022 4:10 pm
by seradır

Thank you for your reply.

I tried this. At this case, I should define the position(coordinate) of second site in the ES code. I was looking for an easy method.I realize that levelsplot doesnt contain 'Exp'. So it doesnt know any site of monoclinic cell unless i define.


Re: levelsplot with two site?

Posted: Fri Feb 18, 2022 4:18 am
by katarkon

I'm afraid I don't completely understand what You want to see. Can you write a simple scripts for each diagram of each site?