[Wien] Missing Pu 6d photoionization cross-section data

[Francisco Garcia]

Dear Users,

Quite recently Bagheri and Blaha have shown that the valence band XPS can
be obtained by weighting the partial DOS with energy-dependent
photoionization cross-sections, followed by the application of Gaussian
broadening instrumentation effects and Lorentzian broadening for lifetime
effects.

Pu has a valence of 5f^5 6d^1 7s^2, however the cross-section data
in SRC_pes/Crosssections contains no data on Pu 6d. Should the Pu 6d states
be ignored in the valence band XPS calculation?

Thanks!

FG
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