Simulation parameters for three spectra:
Co, LCMO 300 K, 0T 2K, 0T 2K, 6T
Fk 0.8 0.75 0.75
Gk 0.8 0.75 0.79
Udd 4.2 4.5 4.5
Upd 5.3 4.7 3.8
FWHM(L) 0.6, 1.1 0.6,1.1 0.6,1.1
FWHM(G) 0.4 0.38 0.3
10Dq 0.98 1.15 1.2
CT 1.65 0.7 0.5
Veg 0.32 0.4 0.5
Vt2g 0.27 0.3 0.4
Hex - 0.005 (x, y, z) 0.025 (x,y,z)
Bex - - 0.001
n(3d) 7.0279 7.0767 7.1318