[Ifeffit] SCF and FMS radius (Bruce Ravel, Feng Wang & Josh Kas)

[Eugenio Otal]

Hi Bruce, Feng and Josh,
I am simulating erbium hydroxide from its crystal structure information,
what does really mean well ordered?
Of course I can´t answer you that, I hope someday would know the answer, and
for the dummies question... I see the changes only close to the edge.
I´ll read the paper deeply , and what I see in the abstract, the SCF and FMS
should converge faster.
I attach 3 packages with 3 results and its .inp files, I hope you can help
me.
Thanks in advance, euG
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