You could do it approximately by introducing atom type with proper seq.
number (no. of electrons).
For example if you have Fe (26 electrons) with 50% occupancy you could use
Al (13 electrons).
It is good enough for powder pattern calculation.
Peter Zavalij
-----Original Message-----
From: Ana Isabel Becerro [mailto:[EMAIL PROTECTED]]
Sent: Friday, July 13, 2001 7:02 AM
To: [EMAIL PROTECTED]
Subject: Site occupation factor in atoms
Dear All,
is there any way of defining the "site occupation factor" of an atom in
the software "ATOMS"??????
Gracias!!
ana
--
Ana Isabel Becerro
ICMSE (CSIC)
Avda. Am�rico Vespucio s/n
41092 Sevilla (Spain)
Tel: 34-95 4489576
Fax: 34 95 4460665
