CLZ: Difference between revisions
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{{TAG|NBANDSO}}, | {{TAG|NBANDSO}}, | ||
{{TAG|OMEGAMAX}}, | {{TAG|OMEGAMAX}}, | ||
{{TAG|ANTIRES | {{TAG|ANTIRES}} | ||
{{sc|CLZ|Examples|Examples that use this tag}} | {{sc|CLZ|Examples|Examples that use this tag}} | ||
Revision as of 08:46, 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