[Ifeffit] feff data

Barton, David (DG) DGBarton at dow.com
Wed Jun 22 09:33:31 CDT 2005


Steven,
 
beta-Ga2O3 files are attached.  I attached the CIF (crystallographic information file) and an Artemis project that has the FEFF.inp inside it.  CIF files can be opened directly in Artemis by choosing the File option, Import ATOMS files, and then select *.CIF in drop down box.  If you need just the FEFF.inp for another purpose you can just cut it out of Artemis project and paste it to a text file.
 
Dave Barton
  _________________________________
  David Barton, PhD.
  The Dow Chemical Company
  Catalysis R&D
  1776 Building
  Midland, MI 48674 USA

-----Original Message-----
From: ifeffit-bounces at millenia.cars.aps.anl.gov [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of Steven S. Lim
Sent: Wednesday, June 22, 2005 10:14 AM
To: ifeffit at millenia.cars.aps.anl.gov
Subject: [Ifeffit] feff data


Dear all,
Does anyone out there, by any chance, have feff data or .inp file of Gallium oxide (any of GaO, Ga2O, and Ga2O3)?
I tried to create an .inp file but it was out of my ability.
If somebody has one or can give me an information where or how to get, I will do appreciate it.
Thank you.
Steven

	
	
 
 
Steven Sangyun Lim
Associate Research Scientist
Dept. of Chem. Eng., Yale University
Tel : 203-432-4365


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20050622/ced7eb7a/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: bGa2O3.cif
Type: application/octet-stream
Size: 2103 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20050622/ced7eb7a/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: bGa2O3.apj
Type: application/octet-stream
Size: 6569 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20050622/ced7eb7a/attachment-0001.obj>


More information about the Ifeffit mailing list