Re: Double core-hole

["John J. Rehr" <jjr@leonardo.phys.washington.edu>]

Dear Maurizio,

  This is an interesting question.  For deep double-core hole excitations
one can do this with a little recoding. Namely you have to modify the entries
in subroutine getorb (do a search on ine getorb) and by hand alter the
entries for the particular level you want to be the 2nd hole.  Then
recompile and run. The absorption should then be that for a 2 core hole
state. The excitation energies won't be right, but you can align the
results to experiment. It's not something for a novice user, unfortunately.

  Please let me know if you have difficulty doing this and we can
assist e.g., for some sample double hole state.

  Similar modification of getorb can be used to deal with fractional
core hole states. This has also been done many times.

 With best wishes,
  John Rehr