Re: [Ifeffit] Artemis Feff calculation error

2014-06-04 Thread Schima, Frank
Thank you Bruce. This worked for us. Cheers! Frank On Jun 3, 2014, at 9:20 AM, Bruce Ravel wrote: > On 06/02/2014 05:24 PM, Bruce Ravel wrote: >> >> Your feff.inp file is for feff8. For all the reasons discussed on >> this list at great length, artemis doesn't try very hard to use feff8. >

[Ifeffit] Data for Cr selenide?

2014-06-04 Thread Matthew Marcus
Does anyone have EXAFS data to at least k=12 for Cr selenide of known phase? I'm working on fitting the EXAFS of Cr doped into Bi2Se3, and using Feff6L, the S02 comes out to 0.65 if I assume a substitutional site, which seems a bit low. mam __