[RMCProfile-users] How much the value of "reduction factor" should be ? 1.0 ? or less than 0.1 ?

sajiki gou sajiki at t.kagawa-nct.ac.jp
Thu Sep 1 05:47:51 BST 2016


DEAR RMCprofile group

I would like to calculate using EXAFS data. 
To do so, we must obtain the some Paths.
To get a path, we must Run EXAFS_INTER.exe.

How much the value of "reduction factor" should be ?

In manual_rmc6f_exafs, It is written as follows : 
“The “reduction factor” is the So2 parameter obtained in the preliminary fit.”

In feff file (made at feff6l), It may have been written as follows:
“HOLE 1   1.0   *  Nb K edge  (18986.0 eV), second number is S0^2”

As mensined above, reduction factor is 1.

But, in manual_rmc6f_exafs, It is written as follows too:

“Perform self-consistent FEFF calculations of the scattering paths in a separate folder for each cluster. 
In the FEFF input file, set the amplitude-reduction parameter So2 to a value less than 0.1 to let FEFF estimate this parameter from the atomic overlap integrals.
dentify scattering paths to be used in the fit;”

reduction factor is 1.0 ? or less than 0.1 ?
If reduction factor is less than 0.1, How much it is normaly?

Thank you for your attention.

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