From: [EMAIL PROTECTED] on behalf of Mauro Rovezzi
Sent: Tue 3/27/2007 9:38 AM
To: Ifeffit-ML
Subject: [Ifeffit] [howto] configurational average in EXAFS with FEFF
Dear all,
I would like your point of view on how to approach configurational
average in EXAFS analysis
Anatoly,
I don't quote your answer because I would like to add some more elements
to specify what I'm searching for.
In my previous post I have used the term cluster in a wrong way, that
is I was thinking at the crystal-box (normally less than 216 atoms) used
in the ab-initio density functional
