[QE-users] Core-level hole annotation

Nathan Daelman ndaelman at physik.hu-berlin.de
Wed Aug 16 11:50:31 CEST 2023


Dear Forum,


is there any way to obtain the energy level or orbital of the core hole 
from the pseudopotential file or the standard output file?

In the pseudopotential file I find the `Generation configuration:` line, 
but in all example cases I found it is set to `not available`.


Many thanks,

-- 
Dr. Nathan Daelman
Domain Expert C1
FAIRmat
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