[Ifeffit] how to reduce the core-hole lifetime broadening in feff8.2
John J. Rehr
jjr at phys.washington.edu
Thu Jun 11 11:18:25 CDT 2009
Hi Tony,
Following Bruce's suggestion, you can reduce the core-hole broadening
by making Vi negative. When you do this, note that the amount of reduction
is limited by the core-hole broadening (i.e., the variable Gam_ch which
is printed out in the header to xmu.dat or chi.dat). Thus for a typical
case (Al) where Gam_ch=3.763E-01, you can set Vi= -0.018 in the EXCHANGE
or CORRECTIONS cardds.
J. Rehr
On Thu, 11 Jun 2009, tony vitova wrote:
> Dear all,
>
> Could somebody give me a hint how to reduce the core-hole lifetime broadening in feff8.2? Do I need to change the source code? I have partial fluorescence yield XANES spectrum whose White Line is narrow than the one in the calculation.
>
> Thanks for any help
>
> Tonya
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