Dear Dr. Sato,
Please try an old version of Fullprof. The latest version of Fullprof is
give a wrong ATZ value. I suffered with same problem in the
FullProf_Suite_OCT-2014 version and
then I used FullProf_Suite_September2012 version.
The FullProf_Suite_September2012 version is give an accurate va
You should make a first refinement with ATZ=0 for both phases, and let the
value that the software has calculated.
Be carefull, the first atom site must be fully occupied.
Patrick
De : Kotaro SAITO
À : Rietveld_l@ill.fr
Envoyé le : Mardi 24 février 2015 11h52
Objet : Quantitative phase
Dear Dr. Sato,
You can try to run Fullprof putting ATZ = 0.00 for the fases in control
file (*.pcr ). Then the program will automatically calculate the Atz
values. Atz is the mass of the unit cell in atomic units.
Ex:
!Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZNvk Npr More
2
Hi Kotaro
ATZ is the Z*Mw*f that you were calculating. You can find it described in the
FullProf manual .pdf file around page 91 (or search for “ATZ”), and it is given
for each phase in the line :
!Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZNvk Npr More
You can calculate it you
Dear Rietvelders,
Does anyone know how FullProf calculates weight fractions “Fract(%)” in a .sum
file? or Is there any known bugs for calculating ATZ?
According to the manual, it seems that ATZ is used for calculating the
values... but no further information is written in the manual.
I am also
