Calculations of core-level XPS spectra

hiroyanakata · Post by **hiroyanakata** » Mon Aug 10, 2015 5:31 am

Dear Abinit Users,

I would like to calculate XPS with ABINIT,
and have found the pdf file about XPS with ABINIT
(http://ftp.abinit.org/ws11/xps-new.pdf).
However, I could not find any examples and input files for using XPS with ABINIT.
(The paper Phys. Rev. B vol. 61 num. 11 page. 7716. also calculated XPS, but it did not use ABINIT code for XPS,
and only optimizations have been performed with ABINIT).

Is it possible to calculate XPS with ABINIT?
If yes, I would like to know how it could be done?

Please help me with some comments to calculate XPS.
Thank you for your kind helps in advance.

Best regards,
Hiroya Nakata