[Ifeffit] how to reduce the core-hole lifetime broadening in feff8.2

tony vitova tony_vitova at yahoo.com
Thu Jun 11 09:38:13 CDT 2009


Hi Janine and Bruce, 
 
Thanks a lot! I didn't think that the EXCHANGE card might take and negative values...
 
Tonya

--- On Thu, 6/11/09, Janine GRATTAGE <janine.grattage at esrf.fr> wrote:


From: Janine GRATTAGE <janine.grattage at esrf.fr>
Subject: Re: [Ifeffit] how to reduce the core-hole lifetime broadening in feff8.2
To: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
Date: Thursday, June 11, 2009, 5:29 PM


Hi Tonya,

I use the EXCHANGE card to reduce the applied broadening in my spectra. 
If you set the third parameter in the card to a number less than zero 
(up to about -5 in my experience) then the broadening is reduced and you 
can calculate high resolution type XANES spectra. This applies only to 
some inherent limit in the calculations where further reducing the 
parameter has no effect.
You can look up the EXCHANGE card on the feff wiki as it also can be 
used to change the exchange model and the position of the Fermi level.

Hope that helps you!
Janine

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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>
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-- 
Dr Janine GRATTAGE
Postdoctoral Fellow, ID26
European Synchrotron Radiation Facility (ESRF)
Sector 26, BP 220 
6, rue Jules Horowitz,
38043 Grenoble, Cedex 9, FRANCE
Tel:   +33(0)4 38 88 19 30
Email: janine.grattage at esrf.fr 


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