levelsplot with two site?

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seradır
Newbie
Posts: 8
Joined: Wed May 13, 2020 9:46 pm

levelsplot with two site?

Post 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 2988 times
katarkon
Local Expert
Posts: 186
Joined: Mon Jan 12, 2015 4:01 am

Re: levelsplot with two site?

Post 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;

seradır
Newbie
Posts: 8
Joined: Wed May 13, 2020 9:46 pm

Re: levelsplot with two site?

Post 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.

katarkon
Local Expert
Posts: 186
Joined: Mon Jan 12, 2015 4:01 am

Re: levelsplot with two site?

Post 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?

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