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f' and f'' scale problem?
i find an unreasonable scale discrepancy between f' and f''
calculated by feff (using XANES and DANES cards on a Mn oxyde cluster)
and those from the Cromer-Liberman tables (See picture). If f' might
still be reasonable, f'' is rather small. I suspect something wrong here
as f' and f" from feff don't seem to be scaled correctly neither
relatively to each other.
Has someone experienced that?
i use feff 8.20x8
Dept of Physics, 510,
Brookhaven National Laboratory
Upton, New York, 11973, USA.
Tel: (1-631) 344 4963
Fax: (1-631) 344 2739