Different gAStrainCorr signs for different components of g and A tensors

[trukhan]

Can I set different correlation signs for different g and A tensor components in EasySpin 6?

In EasySpin 5, I, in particular, managed to do this as follows:

Code: Select all

Sys.gAStrainCorr = 1;
V.gStrain = [0.001 -0.0001];

More detailed example:

Code: Select all

clear, clf
Sys.Nucs = '1H';
Sys.g = [2.001 1.999];
Sys.g = 2;
Sys.A = [100 300];
Exp.Range = [330 350];    % mT
Exp.mwFreq = 9.5;         % GHz

Sys.lw = 0.4;
[x,y1] = pepper(Sys,Exp);

Sys.gAStrainCorr = 1;
Sys.gStrain = 40*[0.0001 0.0001];
Sys.AStrain = 20*[1 1];
[x,y2] = pepper(Sys,Exp);

Sys.gAStrainCorr = -1;
Sys.gStrain = 40*[0.0001 0.0001];
Sys.AStrain = 20*[1 1];
[x,y3] = pepper(Sys,Exp);

Sys.gAStrainCorr = 1;
Sys.gStrain = 40*[0.0001 -0.0001];
Sys.AStrain = 20*[1 1];
[x,y4] = pepper(Sys,Exp);

Sys.gAStrainCorr = -1;
Sys.gStrain = 40*[0.0001 -0.0001];
Sys.AStrain = 20*[1 1];
[x,y5] = pepper(Sys,Exp);

sh=-400;
plot(x,y1,x,y2+sh,x,y3+2*sh,x,y4+3*sh,x,y5+4*sh);
legend('noStrain','+,+','-,-','+,-','-,+');

But 6th version, unfortunately, cannot be deceived in this way. It gives an error:
"Error using pepper
Sys.gStrain must contain nonnegative values!"

[Stefan Stoll]

This is not possible currently in EasySpin 6 (as of 6.0.0-dev.24), but this would be a good feature to include. We'll add it to our list. Thanks for the suggestion.