Exp.Harmonic not working with salt?
Posted: Fri Nov 13, 2015 7:14 am
The command Exp.Harmonic seems to be disabled when running ENDOR simulations.
In the following code, I expected a first derivative spectrum (Exp.Harmonic=1) but easyspin yielded an absorption spectrum (see attachment).
clear;
Sys.S=3/2;
Sys.g = [1.977 1.977 1.955];
Sys.D=0.53*29979;
Sys.HStrain = [280 280 280];
Sys.Nucs = '71Ga';
alpha=35.26/180*pi;
P=[cos(alpha) 0 -sin(alpha);0 1 0;sin(alpha) 0 cos(alpha)];
Sys.A = P'*[27.2 0 0;0 27.2 0;0 0 30.2]*P;
Sys.Q = [0 0 -1;0 1 0;1 0 0]'*[-0.44 0 0;0 -0.49 0;0 0 0.93]*[0 0 -1;0 1 0;1 0 0];
Sys.lwEndor = 0.1;
Exp.Field = 753.9;
Exp.Range = [0 100];
Exp.mwFreq = 33.797;
Exp.ExciteWidth = 100;
Exp.Harmonic=1;
Options.nKnots = 100;
salt(Sys,Exp);
In the following code, I expected a first derivative spectrum (Exp.Harmonic=1) but easyspin yielded an absorption spectrum (see attachment).
clear;
Sys.S=3/2;
Sys.g = [1.977 1.977 1.955];
Sys.D=0.53*29979;
Sys.HStrain = [280 280 280];
Sys.Nucs = '71Ga';
alpha=35.26/180*pi;
P=[cos(alpha) 0 -sin(alpha);0 1 0;sin(alpha) 0 cos(alpha)];
Sys.A = P'*[27.2 0 0;0 27.2 0;0 0 30.2]*P;
Sys.Q = [0 0 -1;0 1 0;1 0 0]'*[-0.44 0 0;0 -0.49 0;0 0 0.93]*[0 0 -1;0 1 0;1 0 0];
Sys.lwEndor = 0.1;
Exp.Field = 753.9;
Exp.Range = [0 100];
Exp.mwFreq = 33.797;
Exp.ExciteWidth = 100;
Exp.Harmonic=1;
Options.nKnots = 100;
salt(Sys,Exp);