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Hi, vasp users!

Does anybody know how to perform final state core level shift (CLS) calculations?

The initial state CLS can be easily calculated and is well described in the vasp manual. However, I could not find any description on the necessary input parameters for the final state CLS calculations.

Thanks in advance.

HK

to get the final state, set
ICORELEVEL=2
in INCAR.
In addition, the electroni c state of the final state has to be
specified (n,l quantum numbers) by setting
CLN = (n quantum number)
CLL= l "
CLZ= number of removed electrons

Thanks for your information. I will try to follow your
instruction. Thanks much, again.