EasySpin forum

Hi,
by specifying the matrix for the hyperfine coupling, I get the following error message:

Error using resfields (line 313)
The system contains A and/or Q fields, but no nucleus is specified!

Error in C:\easyspin-5.0.5\easyspin\pepper.p>pepper (line 604)


Error in C:\easyspin-5.0.5\easyspin\pepper.p>pepper (line 127)


Error in test (line 20)
[B,spcH]= pepper(SysH,Exp,Opt);


This is the corresponding test script:
clear all;

Exp.mwFreq = 9.649;
Exp.CenterSweep = [343.4 24];
Exp.Harmonic = 1;
Opt.Verbosity = 0;
Opt.Method = 'hybrid';
Opt.nKnots = 20;


SysH.g = 2.00402;
SysH.Nucs = '13C';
SysH.S = 1/2;

SysH.A = [5 0 0; 0 5 0; 0 0 5];
SysH.lwpp = 1;


[B,spcH]= pepper(SysH,Exp,Opt);

The script works in the case of use of principal values of A.
Thanks in advance for considering this message!

This is a bug in 5.0.5. It will be fixed in 5.0.6. Thanks for reporting!