[Ifeffit] Export chi(R) with different kw

Bruce Ravel bruceravel1 at gmail.com
Sat Oct 12 07:41:45 CDT 2013


On 10/12/2013 12:32 AM, Eugenio Otal wrote:
> Hi,
> I am fitting results and I would like to export the chi(R) with
> different kw to show the change and remark the shell composed by light
> atoms from the one composed by heavy ones, Is this possible?

Yes, but not in a single file.  The exported chi(R) respects the current 
kw selection used for plotting.  So if you plot with kw=1, the file 
written with "save current group as chi(R)" will use kw=1.  Then plot 
with kw=2 and save again, this time with kw=2.  Obviously, you need to 
take care not to overwrite the files.

B


-- 
  Bruce Ravel  --------------------- bruceravel1 at gmail.com

  Homepage:    http://xafs.org/BruceRavel
  Software:    https://github.com/bruceravel



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