[Ifeffit] Muffin tin radius adjustment?

Matt Newville newville at cars.uchicago.edu
Mon Oct 3 22:12:21 CDT 2005


Hi Paul,

I believe this is a benign error message from Feff6.  At least, the
results still seem ok to me in the cases where I've seen the 'Hard
test in fovrg' messages:  The EXAFS and the muffin tin radii look
reasonable to me. Getting the benign messages is probably due to my
conversion of the Feff6l to mostly double precision, while older Feff6
(and Feff7) had mixed single and double precision.  I see that some of
the constants in fovrg.f are still single precision.

Feff8 uses a completely different algorithm for this (do I actually
understand either of them?  No I do not!), so it's not surprising that
warnings in one would not occur in the other.

Can you send an input file that gives this?  I have one that also
gives fovrg hard tests messages, but I'd like to see if I can figure
this out.

Thanks,

--Matt




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