CLZ
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