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[sdpd] indexing superstructures
- To: sdpd... @egroups.com
- Subject: [sdpd] indexing superstructures
- From: Jean-Marc Joubert <joubert... @glvt-cnrs.fr>
- Date: Wed, 31 Mar 1999 10:04:06 +0200
- Delivered-to: listsaver-egroups-sdpd... @egroups.com
- Mailing-list: contact sdpd-owner... @egroups.com
I would like to know if exists a software devoted to the indexation of
superstructure lines in a powder pattern.
i.e. : I have a powder pattern and managed to index (by analogy with a known
structure) the majority of the lines. I have some remaining unindexed lines
and am pretty sure that they do not belong to an additional phase.
I wonder if exists some software taking into account (contrary to
the usual indexation programs like dicvol, treor) the cell already indexed
and trying to index the remaining lines in a supercell automatically.
Thank you.
---------------------------------------------------------------
Jean-Marc Joubert
Laboratoire de Chimie Metallurgique des Terres Rares
CNRS - UPR 209
2-8 rue Henri DUNANT,
94320 THIAIS CEDEX - FRANCE
Phone: 33 (0)1 49 78 12 11
Fax: 33 (0)1 49 78 12 03
Email: joubert... @glvt-cnrs.fr