Re: [Ifeffit] E0 issues

2011-06-27 Thread Hana
OK, so I lost my freedom, but got some wisdom... in case of a mix of complex unknown material, it might be fatal I guess. Thanks Scott! ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] E0 issues

2011-06-27 Thread Scott Calvin
Hi again, Thanks Scott, I think it is a mistake done by many beginners. To be confident that I understood you well: so basically the reproducibility of E0 between samples while fitting to FEFF files mainly depends on the quality of my calibration. For reproducibility, yes. Actually, if

Re: [Ifeffit] E0 issues

2011-06-27 Thread Hana
Scott Calvin writes: > > Hi Hana, > > On Jun 27, 2011, at 2:04 PM, Hana wrote: > > > I guess my question is obvious to most of you, but after some > > practice and reading, the following is still unclear to me > > (hopefully some other beginners will benefit): Normally I have > > calibr

Re: [Ifeffit] E0 issues

2011-06-27 Thread Scott Calvin
Hi Hana, On Jun 27, 2011, at 2:04 PM, Hana wrote: I guess my question is obvious to most of you, but after some practice and reading, the following is still unclear to me (hopefully some other beginners will benefit): Normally I have calibrated my spectra using a calibration foil – so e

[Ifeffit] E0 issues

2011-06-27 Thread Hana
I guess my question is obvious to most of you, but after some practice and reading, the following is still unclear to me (hopefully some other beginners will benefit): Normally I have calibrated my spectra using a calibration foil – so energy shift was done according to that companion standard.

Re: [Ifeffit] Fwd: Icosahedral cluster coordinates

2011-06-27 Thread Matt Newville
Wouldn't you just put the atoms at the vertices of an icosahedron? That is, how would you know what was beyond the first shell? The feff.inp file below might be a good start. --Matt TITLE Fe at center of an icosahedron HOLE 1 1.0 Fe K edge CONTROL 1 1 1 1 PRINT 1 0 0 3 * set value to c

Re: [Ifeffit] system iXAFS3.0.3.dmg, cant open arthena project

2011-06-27 Thread Matt Newville
Hi Diya, On Mon, Jun 27, 2011 at 1:40 PM, diya lee wrote: > > Hi, > I have a Macbook pro, and I have the iXAFS3.0.3.dmg system installed. But > the artemis program could not open arthena > project. when i choose open file and select the file ( arthena project), > there system either does not r

[Ifeffit] system iXAFS3.0.3.dmg, cant open arthena project

2011-06-27 Thread diya lee
Hi, I have a Macbook pro, and I have the  iXAFS3.0.3.dmg system installed. But the artemis program could not open arthena project. when i choose open file and select the file ( arthena project), there system either does not respond or only show the first data in the entire project. How could I f