[Pw_forum] core level shifting calculation

[Paolo Giannozzi]

On Jul 6, 2012, at 9:13 , manoj narayanan wrote:

>  So is it ok to use the Z+1 approximation rather
> than using core excited pseudo potential ?

this is about physics, not about software, and the answer
should be found in papers.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222