EasySpin forum

Posted: **Mon Feb 06, 2017 9:34 am**

Hi!
I have problem to obtain roadmaps for 3 crystal rotations, in 3 mutually perpendicular planes.

I use the example code:

Code: Select all

% Spin parameters
Sys.g = [2, 2.1, 2.2];
Sys.gFrame = [10 20 30]*pi/180;

% Experimental parameters
Exp.mwFreq = 9.8;
Exp.Range = [310 360];
Exp.CrystalSymmetry = 'P212121';

% Generate orientations in a single rotation plane
rotN = [1 1 0];  % rotation axis
N = 91;
[phi,theta] = rotplane(rotN,[0 pi],N);
chi = zeros(N,1);
Exp.CrystalOrientation = [phi(:) theta(:) chi];

% Simulate spectra
Opt.Output = 'separate';  % make sure spectra are not added up
Bres = resfields(Sys,Exp,Opt);

% plotting
plot(Bres,theta*180/pi);
xlabel('magnetic field (mT)');
ylabel('theta (°)');

If I simple change rotation axis to rotN = [0 0 1] for z-axis, it does not work.
Could you please help me, how to get roadmaps for 3 perpendicular planes?
Thanks.
Dijana

Posted: **Tue Feb 07, 2017 3:37 am**

Hi Dijana,

it does work if you use

Code: Select all

rotN = [0 0 1];

However, the point is that in the example the resonance field is plotted as function of the angle theta. theta is defined as then angle between the z axis of the crystal frame and the z axis of the lab frame. By setting rotN along the z ais, theta is always pi/2 (90°). If you plot instead the resonance field against phi, you see that it is working.

EasySpin forum

roadmap from single crystal rotation

roadmap from single crystal rotation

Re: roadmap from single crystal rotation