Thanks Shelly,
now atoms is running beautifully!!!
Elsa
--- El sáb, 2/10/10, ifeffit-request@millenia.cars.aps.anl.gov escribió:
De: ifeffit-request@millenia.cars.aps.anl.gov
Asunto: Ifeffit Digest, Vol 92, Issue 1
Para: ifeffit@millenia.cars.aps.anl.gov
Fecha: sábado, 2 de octubre, 2010 14:00
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Today's Topics:
1. Incorrect distances obtaines from Scorodite CIF file (Elsa Sileo)
2. Re: Incorrect distances obtaines from Scorodite CIF file
(Shelly Kelly)
----------------------------------------------------------------------
Message: 1
Date: Fri, 1 Oct 2010 17:06:28 +0000 (GMT)
From: Elsa Sileo
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] Incorrect distances obtaines from Scorodite CIF
file
Message-ID: <957578.81901.qm@web27807.mail.ukl.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear Shelly, thanks?for your answer to the Eo aligment.
Now I am attaching the the scorodite CIF?file because I get incorrect As-Fe distances when I use it to obtain the feff path.
I hope someone has the answer,
?
Elsa
?
