CLN: Difference between revisions
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{{TAG|OMEGAMAX}}, | {{TAG|OMEGAMAX}}, | ||
{{TAG|ANTIRES}} | {{TAG|ANTIRES}} | ||
{{sc|CLN|Examples|Examples that use this tag}} | {{sc|CLN|Examples|Examples that use this tag}} | ||
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[[Category:INCAR tag]][[Category:Linear response]][[Category:Dielectric properties]][[Category:XAS]] | [[Category:INCAR tag]][[Category:Linear response]][[Category:Dielectric properties]][[Category:XAS]] | ||
Latest revision as of 08:49, 21 February 2025
CLN = [integer]
| Default: CLN | = 1 |
Description: CLN selects the main quantum number [math]\displaystyle{ n }[/math] 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, CLNT, CLN, CLL LADDER, LHARTREE, NBANDSV, NBANDSO, OMEGAMAX, ANTIRES