Re: occupation number

R. A. Young ( r.young@physics.gatech.edu )
Tue, 5 Mar 1996 13:17:54 -0500

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>help
>I am working in RR with the DBWS program from Young and I dont know how
>calculate the occupation number. I intend refine ZrSiO4 s.g. I 41/A M D (141)

Dr. Esteve-Cano:

The occupation number is the actual occupancy multiplied by the atom's
Wyckoff site multiplicity and divided by the site multiplicity of the
general site.

For readers who have the 30.3.95 release of DBWS-9411, I point out that
this is described on p.26 of the User's Guide. Dr. Esteve-Cano has an
earlier release.

-R. A. Young

R. A. Young, Professor Emeritus
School of Physics
Georgia Institute of Technology
Atlanta, GA 30332 USA
Tel: 1-404-894-5208
e-mail: r.young@physics.gatech.edu

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