[Wien] Unable to see Li K edges in ELOSS file. Kindly guide.

[Pranjal Nandi]

Dear All,

Hope you are doing well.

I am trying to simulate the eloss data for LiFePo4 and LiTi2(PO4)3.

However, despite multiple variations and calculations, I am unable to see the K edge of Li (55 eV) in any of them. Could you kindly suggest if there is something I need to do (read something about core hole excitation but have no knowledge how to do it or if it is needed in this case).

I have attached the relevant files (couldnot upload eloss file due to size limitations of the email). The WIEN2K version I am using is 21 and I am now in the process of installing the latest version of 23.1

Thank you. Looking forward to your kind assistance.

With warm regards,
Pranjal




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