Dear Topas users,
thanks to your helpful input, I've now come up
with a (probably clumsy) solution to achieve my
goal (see my original post far down below).
For those who are interested, I'll explain it
in relatively high detail, but before I do so,
I want to make some statements to prevent
Dear Antonio,
as far as I know, austenite is just a solid solution
of a few mole-% of carbon in gamma-iron.
Thus, you essentially need the structure of gamma-Fe,
which is very simple, as it is an fcc metal
(space group Fm-3m, a = 3.6468 A, just one
Fe atom located on 0,0,0).
I found one ICSD
Hi Frank
I'm not 100% sure what you have been doing but I think the copying and
pasting to get LVol values for particular sets of hkls can be maybe done in
a more simple manner as shown below. If it's not clear then contact me off
the list.
prm lor_h00 300 min .3
prm lor_0k0 300 min .3
