Hi all,
As a new rietveld user (fullprof) i wanted to check structure factors
calculated thanks to several others softwares : Lazy-Pulverix, Powdercell
1.0 and Carine Crystallography 3.1.
And i was surprised to obtain significants differences. For instance for
Nickel FCC, lazy-pulverix and fullprof give for 111,200,220 planes
:70.4,65.2,50.3 but powdercell 1.0 and Carine Crystallography give for the
same planes 82.2,77.0,62.1. (no thermal factors had been considered in both
cases)
Such differences can have a great influence for quantitative analysis.
Does someone know where differences come from? Which software is the more
reliable?
Patrick Weisbecker
Laboratoire de Science et Genie des Materiaux metalliques
Ecole des Mines de Nancy
e-mail: [EMAIL PROTECTED]
