[Pw_forum] core level shifting calculation

[manoj narayanan]

Dear pwscf users
                                       I was trying to calculate the core
level shifting of Al (111) and Cu surface using quantum espresso. Is it
necessary to use core excited pseudo potential or as in Z+1 approximation
or equivalent core approximation can we use another pseudo potential of
next atom , for example Si in case of Al and Zn for Cu ? Also when I ran a
 calculation for Al (using Si PP) in the output for initial state shift I
got a warning "BEWARE: shift with CC never tested !!! ". Can anyone please
tell me what it is and why it comes

Thank you all
Manoj Narayan Hela
Allahabad University
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