2009 4:47 PM
To: Irvin Telepeni; rietveld_l@ill.fr; Leopoldo Sescun
Subject: Re: fractional occupancy and composition within GSAS
The short answer here is read the code that does this, which I have not done
anytime recently.
What I recall is the unit cell composition is simply the s
The short answer here is read the code that does this, which I have not done
anytime recently.
What I recall is the unit cell composition is simply the sum of site
multiplicities times the fractional occupancy for each site grouped by atom
type.
The way I come up with z is something of a klu
