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

Thu Jun 11 12:34:34 CDT 2009

Hi Tony,
As mentioned already, you can use the EXCHANGE card with negative values 
to reduce the core-hole broadening. Note however that this will not work 
with the CORRECTIONS card.
Josh Kas
> Message: 1
> Date: Thu, 11 Jun 2009 05:58:53 -0700 (PDT)
> From: tony vitova <tony_vitova at yahoo.com>
> Subject: [Ifeffit] how to reduce the core-hole lifetime broadening in
> 	feff8.2
> To: Ifeffit List <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <204685.79014.qm at web54505.mail.re2.yahoo.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> 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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> ------------------------------
>
> Message: 2
> Date: Thu, 11 Jun 2009 09:18:16 -0400
> From: Bruce Ravel <bravel at bnl.gov>
> 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>
> Message-ID: <200906110918.16935.bravel at bnl.gov>
> Content-Type: text/plain;  charset="utf-8"
>
>
> On Thursday 11 June 2009 08:58:53 am tony vitova wrote:
>> 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.
>
> http://leonardo.phys.washington.edu/feff/wiki/index.php?title=EXCHANGE
>
> and
>
> http://leonardo.phys.washington.edu/feff/wiki/index.php?title=CORRECTIONS
>
> B
>
> -- 
>
> Bruce Ravel  ------------------------------------ bravel at bnl.gov
>
> National Institute of Standards and Technology
> Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
> Building 535A
> Upton NY, 11973
>
> My homepage:    http://xafs.org/BruceRavel
> EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
>
>
>
>
> ------------------------------
>
> Message: 3
> Date: Thu, 11 Jun 2009 16:29:51 +0200
> 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>
> Message-ID: <4A3114DF.5050703 at esrf.fr>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> 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
>>
>>
>> ------------------------------------------------------------------------
>>
>> _______________________________________________
>> Ifeffit mailing list
>> Ifeffit at millenia.cars.aps.anl.gov
>> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>>
>
> -- 
> 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
>
>
>
>
> ------------------------------
>
> Message: 4
> Date: Thu, 11 Jun 2009 07:38:13 -0700 (PDT)
> From: tony vitova <tony_vitova at yahoo.com>
> Subject: Re: [Ifeffit] how to reduce the core-hole lifetime broadening
> 	in	feff8.2
> To: janine.grattage at esrf.fr,	XAFS Analysis using Ifeffit
> 	<ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <925207.65444.qm at web54501.mail.re2.yahoo.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> 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
>>
>>
>> ------------------------------------------------------------------------
>>
>> _______________________________________________
>> Ifeffit mailing list
>> Ifeffit at millenia.cars.aps.anl.gov
>> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>> ???
>
> -- 
> 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
>
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
>
>
>
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> ------------------------------
>
> Message: 5
> Date: Thu, 11 Jun 2009 09:18:25 -0700 (PDT)
> From: "John J. Rehr" <jjr at phys.washington.edu>
> 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>
> Cc: "John J. Rehr" <jjr at phys.washington.edu>
> Message-ID:
> 	<Pine.LNX.4.64.0906110911460.28354 at donatello.phys.washington.edu>
> Content-Type: text/plain; charset="x-unknown"
>
> 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
>
> ------------------------------
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
>
> End of Ifeffit Digest, Vol 76, Issue 7
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>