EasySpin forum

Hello: I am trying to simulate the spectra of high-spin Fe3+ complex. This is the code I am using. clear, clf, clc % A S=5/2 spin system Sys.S = 2.5; Sys.g = 1.98; Sys.Nucs = 'Fe'; Sys.n = 1; Sys.A = [220 260]; % MHz D = 110000; % MHz E = 0.0002*D; Sys.D = [D E]; Sys.lwpp = 25; % Gaussian FWHM, mT E...