nucspinadd error in version-6.0.0-dev.19
Posted: Wed Jan 08, 2020 5:24 am
Hey,
there appears to be a bug using nucspinadd in easyspin version 6.0.0-dev.19. Adding a nucleus with a nonzero quadrupole coupling to a spinsystem of S=1/2 coupled to two or more nuclei without quadrupole coupling as shown in the example:
results in the following error message:
Error using *
Incorrect dimensions for matrix multiplication. Check that the number of columns in the first matrix matches the number of rows in the second
matrix. To perform elementwise multiplication, use '.*'.
Error in nucspinadd>@(T)T(:)./(4*I.*(2*I-1))*[-1,-1,2]
This problem does not occur in the easyspin version 5.2.27.
It also does not occur if you add the nucleus with quadrupole coupling to the spinsystem first, as shown here:
Best,
Fabian
there appears to be a bug using nucspinadd in easyspin version 6.0.0-dev.19. Adding a nucleus with a nonzero quadrupole coupling to a spinsystem of S=1/2 coupled to two or more nuclei without quadrupole coupling as shown in the example:
Code: Select all
clear
Sys.S=1/2;
Sys.g = [2.0054 2.0042 2.0022];
Sys = nucspinadd(Sys,'1H',[1 1 1]);
Sys = nucspinadd(Sys,'1H',[1 1 1]);
Sys = nucspinadd(Sys,'17O',[1 1 1],[],[1 1 1],[]); Error using *
Incorrect dimensions for matrix multiplication. Check that the number of columns in the first matrix matches the number of rows in the second
matrix. To perform elementwise multiplication, use '.*'.
Error in nucspinadd>@(T)T(:)./(4*I.*(2*I-1))*[-1,-1,2]
This problem does not occur in the easyspin version 5.2.27.
It also does not occur if you add the nucleus with quadrupole coupling to the spinsystem first, as shown here:
Code: Select all
clear
Sys.S=1/2;
Sys.g = [2.0054 2.0042 2.0022];
Sys = nucspinadd(Sys,'17O',[1 1 1],[],[1 1 1],[]);
Sys = nucspinadd(Sys,'1H',[1 1 1]);
Sys = nucspinadd(Sys,'1H',[1 1 1]);
Fabian