Re: [Ifeffit] Shift in Eo when fitting PtO2 and similar samples

2023-08-23 Thread alexeyboubnov
Dear Yanny, dear Shelly,I also came across this issue, with Pt and Ir L3 XAS. For these spectra, deltaE0 is systematically 10-12 eV, compared to K edge XAS spectra, where it is typically +/- a few eV. My explanation is as follows; if I am wrong or there are other explanations in the community,

Re: [Ifeffit] Inquiry About Demeter's Capabilities in Simulating Spectra from Structures

2024-01-16 Thread alexeyboubnov
Dear Xuwei,If you are interested in near edge spectra, you should use FEFF, which comes with a dedicated interface JFEFF, refer tohttps://times-software.github.io/feff10/Best regards, Alexey  Original message From: 徐微 Date: 1/9/24 08:24 (GMT+01:00) To:

Re: [Ifeffit] Meaning of ldosNN

2024-02-27 Thread alexeyboubnov
Dear Jaskirat,Ldos00 corresponds to 0 NiLdos01 corresponds to 1 NiLdos03 corresponds to 2 VThe columns within each file correspond to s,p,d,f (0,1,2,3 respectively).Hope this helps. Best regards, AlexeySent from my T-Mobile 4G LTE Device Original message From: jaskirat brar

Re: [Ifeffit] [Ext] Meaning of ldosNN

2024-02-27 Thread alexeyboubnov
Hi Jeff,If i recall it correctly, ldosNN correspond to the unique potentials NN, with the relevant orbitals within each file.Just noticed that you replied in a different way,  which might be confusing. Best regards, Alexey Sent from my T-Mobile 4G LTE Device Original message

Re: [Ifeffit] [Ext] Meaning of ldosNN

2024-02-29 Thread alexeyboubnov
. JeffSent from my iPhoneOn Feb 27, 2024, at 1:58 PM, alexeyboubnov wrote: Hi Jeff, If i recall it correctly, ldosNN correspond to the unique potentials NN, with the relevant orbitals within each file. Just noticed that you replied in a different way, which might be confusing. Best regards, Alexey

Re: [Ifeffit] Request for Assistance with Data Import Error of Athena 0.9.26

2024-05-19 Thread alexeyboubnov
Dear Rui,It seems you activated all plugins, whereas you only need the three SSRL ones. The problem originates from a plugin for X23 beamline at a different synchrotron, which is unrelated to your measurement. As suggested by Robert, contact the headline scientist for help, but first uncheck