Hi everyone,
I try to simulate an 1 electron and 2 nuclei system by pepper.
However, I notice that the simulation depends on the exp.range I use.
I have set exp.npoint = 100000, so I don't think number of points is the reason.
Here is my code. The result of Exp.range = [0 18000] and Exp.range = [10000 18000] are different.
I don't know how to post pictures in this topic. You can run this code in different Exp.range and notice that the simulation depends on field range.
Code: Select all
Sys.g = [1.99 1.999];
Sys.S = 1/2;
Sys.lwpp = 20;
Sys.A = [500 10; 100 10];
Sys.Nucs = 'Mn, Mn';
Exp.nPoints = 100000;
Exp.mwFreq =397.3; %in GHz
Exp.Temperature = 10; %in K
Exp.Range = [0 18000]; %in mT
Exp.Harmonic = 1;
Exp.Mode = 'perpendicular';
[B, spec] = pepper(Sys,Exp);
spec = (spec - min(spec)) ./ (max(spec) - min(spec));
plot( B/1000, (spec - mean(spec)), 'r')
xlim([14 14.5]);