Dear All
I am trying to simulate data for antisite disorder for LFP data. I import the CIF file and make sum of all the paths and save the file as an artemis file. I do this for different ratios of Li/Fe sites. However, I want to compare all these data in Origin. How do I open these artemis files in Origin to see how my data varies with different Li/Fe antisites?
Thank you and Kind Regards
Ms. Disha Gupta
PhD Student
School of Materials Science & Engineering (MSE)
Nanyang Technological University
50 Nanyang Avenue, Singapore 639798
Tel: (65) 84087404 | Email: disha001@e.ntu.edu.sg
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Subject: Ifeffit Digest, Vol 161, Issue 9
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Today's Topics:
1. Artemis (FEFF) question (Louis Forto)
2. Re: Artemis (FEFF) question (Matt Newville)
3. Re: Artemis (FEFF) question (Bruce Ravel)
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Message: 1
Date: Tue, 12 Jul 2016 10:13:17 +0100
From: Louis Forto
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] Artemis (FEFF) question
Message-ID:
Content-Type: text/plain; charset="utf-8"
Dear All,
I am trying to run a FEFF calculations on a quaternary glass , when I
import crystalline data obtained from ICSD website and try to run FEFF to
calculate the scattering paths of nearest neighbour atoms relative to
absorbing atom, I get an error message that says
" generate one or more common positions and their occupancies sum to more
than 1".
I don't know how to go about this, any help , I will appreciate.
Thanks.
