[Ifeffit] Third cumulant in DWF
Matthew Marcus
mamarcus at lbl.gov
Mon Apr 4 17:51:23 CDT 2011
OK, so if you don't add a sigma2 to your FEFF input file, then IFEFFIT will do the correction properly. Another question
is whether, if you add a sigma2 to feff.inp, what does FEFF do?
mam
On 4/4/2011 3:37 PM, Bruce Ravel wrote:
> On Monday, April 04, 2011 06:01:20 pm Ping, Yuan wrote:
>> So the term is included? Please see the attached paper. I meant the Coj(k)
>> in Eq. (5).
>
> The answer is "yes, Matt wrote Ifeffit correctly". But I am beginning
> to suspect that I am will never be able to answer your question to
> your satisfaction in words. Fortunately, you can go code diving.
> Once again, free software is the cat's pajamas.
>
> Here is where the theoretical chi(k) is assembled:
>
> http://cars9.uchicago.edu/svn/ifeffit/trunk/src/lib/chipth.f
>
> Your question is answered between lines 132 and 173.
>
> B
>
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