CLZ: Difference between revisions
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG|ICORELEVEL}}, {{TAG|CLNT}}, {{TAG|CLN}}, {{TAG|CLL}} | {{TAG|ICORELEVEL}}, | ||
{{TAG|CLNT}}, | |||
{{TAG|CLN}}, | |||
{{TAG|CLL}} | |||
{{TAG|LADDER}}, | {{TAG|LADDER}}, | ||
{{TAG|LHARTREE}}, | {{TAG|LHARTREE}}, | ||
Latest revision as of 08:47, 21 February 2025
CLZ = [real]
| Default: CLZ | = 0 |
Description: CLZ selects a fractional or the full electron charge for the core hole in the core-excitation calculations with ICORELEVEL=2.
In SCH CLZ can be used to introduce a fraction of the core hole. For example, a half-core hole can be created to simulate a transition state in the X-ray excitation process.
Related tags and articles
ICORELEVEL, CLNT, CLN, CLL LADDER, LHARTREE, NBANDSV, NBANDSO, OMEGAMAX, ANTIRES