how to reduce the core-hole lifetime broadening in feff8.2
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
Subject: [Ifeffit] how to reduce the core-hole lifetime broadening in feff8.2 To: Ifeffit List Message-ID: <204685.79014.qm@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
On Thursday 11 June 2009 01:34:34 pm joshua jason kas wrote:
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.
And yet, the documentation for the CORRECTIONS keyword says: "The real energy shift vrcorr moves E0 in the final \chi(k) and the imaginary energy shift vicorr adds broadening to the result. The real energy shift is useful to correct the error in FEFF's Fermi level estimate and the imaginary part can be used to correct for experimental resolution or errors in the core-hole lifetime." And a couple of sentences later: "The imaginary energy is typically used to correct for instrument broadening or as a correction to the mean free path calculated by feff." Perhaps the document should be updated to explain more clearly what CORRECTIONS actually does. B -- Bruce Ravel ------------------------------------ bravel@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/
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Bruce Ravel
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joshua jason kas