[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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