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Re: [sdpd] I have a problem.

To: sdpd...@egroups.com
Subject: Re: [sdpd] I have a problem.
From: Armel Le Bail <armel...@fluo.univ-lemans.fr>
Date: Sat, 27 May 2000 18:35:08 +0200
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>The total formula does not show the charge neutrality of the structure.

If not already done, perform some valence bond calculation and
see if there is not some problem in another place than your K
atom position which has few if no chance to permute with Cl.

Best,

Armel Le Bail - Université du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://www.cristal.org/

Follow-Ups:
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References:
- Re: [sdpd] For Powder Indexing: New Truecell software and Truecell enabled Chekcell update
  - From: Armel Le Bail <armel...@fluo.univ-lemans.fr>
- [sdpd] I have a problem.
  - From: Neeraj <neeraj...@jncasr.ac.in>

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