Re: CFAVERAGE

[Alex Ankudinov <alex@leonardo.phys.washington.edu>]

Dear Ben,

Thank you for reporting the bug in feff8.2.
I found a quick fix: simply comment out or remove the line
     iabs = 1
in subroutine ffmod6.

Once I did that the code produced chi.dat file, as it should.

> 	As mentioned by Maurizio Mattesini, FEFF will not run, even 
> with CFAVERAGE card, unless an atomic potential 0 is specified.
  
  I also found a fix for this: in subroutine rdinp change lines

c     No gaps allowed in unique pots.  Make sure we have enough
c     to overlap all unique pots 0 to nph.
      do 340  iph = 0, nph

  to

c     No gaps allowed in unique pots.  Make sure we have enough
c     to overlap all unique pots 0 to nph.
      if (iphabs.gt.0 .and. iatph(0).le.0)   iatph(0) = iatph(iphabs)
      do 340  iph = 0, nph

I.e. you need to insert just one line.

Let me know if those patches worked on your computer.
We will put them in in future releases of the code.

Best wishes
Alex Ankudinov