Different gAStrainCorr signs for different components of g and A tensors
Posted: Tue Aug 25, 2020 12:38 am
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:
More detailed example:
But 6th version, unfortunately, cannot be deceived in this way. It gives an error:
"Error using pepper
Sys.gStrain must contain nonnegative values!"
In EasySpin 5, I, in particular, managed to do this as follows:
Code: Select all
Sys.gAStrainCorr = 1;
V.gStrain = [0.001 -0.0001];
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','+,+','-,-','+,-','-,+');
"Error using pepper
Sys.gStrain must contain nonnegative values!"