CLL
CLL = [integer]
| Default: CLL | = 0 |
Description: CLL selects the angular quantum number of the excited core electron when using ICORELEVEL>0.
| Mind: Currently the spin-orbit coupling is only supported in the valence and conduction states but not in the core states. Hence, the splitting of an absorption edge with the orbital quantum number L>0 is not captured. For example, the splitting to L2 and L3-edges is not captured in the calculations and instead, a single L-edge is shown. |
Related tags and articles
ICORELEVEL, CLZ CLNT, CLN, CLL LADDER, LHARTREE, NBANDSV, NBANDSO, OMEGAMAX, ANTIRES