StollLab / EasySpin

MATLAB toolbox for Electron Paramagnetic Resonance (EPR) spectroscopy
http://easyspin.org
MIT License
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pepper errors for ISC triplet with E=0 and xyz populations #253

Closed stestoll closed 2 years ago

stestoll commented 2 years ago

The following errors, but it shouldn't, since the (Tx,Ty,Tz) basis is uniquely defined even when the zero-field energy levels are degenerate (E=0). The Tx, Ty, and Tz states need to hard-coded into validatespinsys and used to calculate the density matrix in the uncoupled basis, instead of trying to map the xyz basis to zerofield.

clear, clc
Sys.S = 1;
Sys.D = 200;  % MHz
Sys.initState = {[0.2 0.1 0.7],'xyz'};
Sys.lwpp = 0.2;  % mT
Exp.mwFreq = 9.5;
Exp.Harmonic = 0;
Exp.Range = [320 360];  % mT
pepper(Sys,Exp);