The short, short version, in my estimation, is "pick two paths as a reasonable
starting point and let the fitting parameters do the rest." You could even use
two clones of the same path, which will end up getting different CNs, delr, and
ss in the fit.
There's no law that says you have to use F
You can run two calculations and import the paths and scale the contributions
from each site. There are a lot of examples and this has been discussed before
on the mailing list if you search.
Hope that helps,
Chris
*
Dr. Chris Patridge
Assistant Pro
Hi
I am running an EXAFS fitting for spinel Co3O4. As we know, the Co3O4 will
have two different two local coordinations. One is 6 Co-O coordinated
octahedral site, and another one is 4 Co-O coordinated tetrahedral site.
When we run the Feff calculation, we can only use one Co site to do the
calcu
