[Ifeffit] Ifeffit Digest, Vol 68, Issue 29

daesung park at gfe.rwth-aachen.de
Thu Oct 30 14:30:05 CDT 2008


Dear J. Rehr,

it is an interesting issue for me. I thought that FEFF calculates for L2 and 
L3 absorption edges if I use EDGE L3 card, since they overlap in a small 
energy region. Now I understand why I had bad results for L23 edge 
calculations. 

However, where can I find scripts for adding FEFF results for two edges? Are 
they somewhere in FEFF 8 documents? 

Please give me more informations 

Daesung Park


On Thursday 30 October 2008 18:00:01 ifeffit-request at millenia.cars.aps.anl.gov 
wrote:
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> Today's Topics:
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>    1. Fe_L2L3 (Guvenc Akgul (gakgul))
>    2. Re: Fe_L2L3 (John J. Rehr)
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Wed, 29 Oct 2008 16:17:10 -0500
> From: "Guvenc Akgul (gakgul)" <gakgul at aps.anl.gov>
> Subject: [Ifeffit] Fe_L2L3
> To: ifeffit at millenia.cars.aps.anl.gov
> Message-ID: <fb33bc484270.49088c86 at aps.anl.gov>
> Content-Type: text/plain; charset=us-ascii
>
> dear all,
>
> I have to calculate L3 and L2 absorption edges for pure Fe as theorical
> .how can I do this using FEFF?
>
> thanks
>
> guven
>
>
> ------------------------------
>
> Message: 2
> Date: Wed, 29 Oct 2008 20:03:51 -0700 (PDT)
> From: "John J. Rehr" <jjr at phys.washington.edu>
> Subject: Re: [Ifeffit] Fe_L2L3
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID:
> 	<Pine.LNX.4.64.0810292003250.16641 at donatello.phys.washington.edu>
> Content-Type: TEXT/PLAIN; charset=US-ASCII; format=flowed
>
> Subject: Re: [Ifeffit] Fe_L2L3
>
> Dear Guvenc,
>
>   It's pretty easy, but you have to do the calculation edge by edge and
> then add, i.e., two calculations, one with
>
> EDGE L3
>
> and one with
>
> EDGE L2
>
> The FEFF project has scripts for adding FEFF results for two edges - send
> email to jjr at phys.washington.edu for details.
>
>   J. Rehr
>
> On Wed, 29 Oct 2008, Guvenc Akgul (gakgul) wrote:
> > dear all,
> >
> > I have to calculate L3 and L2 absorption edges for pure Fe as theorical
> > .how can I do this using FEFF?
> >
> > thanks
> >
> > guven
> > _______________________________________________
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> > Ifeffit at millenia.cars.aps.anl.gov
> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
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> End of Ifeffit Digest, Vol 68, Issue 29
> ***************************************





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