Re: [Ifeffit] XANES temperature estimation (Robert Gordon)

2022-11-21 Thread Matt Newville
Hi Gabriele, On Mon, Nov 21, 2022 at 12:59 PM Gabriele Garofalo < gabriele.garof...@esrf.fr> wrote: > Hi Gordon, > > I have just one spectrum per sample, all taken at different T (unknown, > due to technical problems) and P (known). I'd like to find T and using > an EoS is not a viable option.

Re: [Ifeffit] XANES temperature estimation (Robert Gordon)

2022-11-21 Thread Gabriele Garofalo
Hi Gordon, I have just one spectrum per sample, all taken at different T (unknown, due to technical problems) and P (known). I'd like to find T and using an EoS is not a viable option. I was thinking that maybe, assuming that the Debye-Waller term is explained only by thermal disorder, the

Re: [Ifeffit] XANES temperature estimation

2022-11-21 Thread Robert Gordon
Hi Gabriele, To qualify Anatoly's cheerful, pre-morning coffee response, if your samples are part of a sequence of measurements of a material whose XANES has been measured at different temperatures, and said XANES does have some changes owing to changes in physical or electronic behavior with

Re: [Ifeffit] XANES temperature estimation

2022-11-21 Thread Anatoly Frenkel
Only evaporation temperature, when XANES spectrum disappears…:) Anatoly > On Nov 21, 2022, at 10:20 AM, Gabriele GAROFALO > wrote: > > Hi everyone, > > I'd like to estimate the temperature of some samples from some XANES spectra, > is there a way to do that? I couldn't find an answer in

[Ifeffit] XANES temperature estimation

2022-11-21 Thread Gabriele GAROFALO
Hi everyone, I'd like to estimate the temperature of some samples from some XANES spectra, is there a way to do that? I couldn't find an answer in the mailing list archive. Thanks! ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov