hkl dependent peak shift possible?

m-ziegner

Hi,
Is there a possibility / macro to add a hkl dependent shift to d-spacing, similar to anisotropic peak broadening?
I try to include the influence of elastic anisotropy under residual stress in the Rietveld refinement.

johnsoevans

Do a search for "th2_offset" in the topas tech ref pdf file. P71 has some info.

m-ziegner

Thanks John for the instant answer.
This subject wasn't really hidden in the Technical Reference. Sometimes I am really blind.

johnsoevans

:-)

srraju

Hi @johnsoevans ,

The th2_offset, as I understood shifts all the peaks uniformly. How to implement anisotropic peak shift (or hkl dependent peak shift). For example, If i want to shift only (111) peak only by certain amount during a Pawley refinement.
Thanks in advance.

johnsoevans

See the answer above. In the v7 technical manual there is discussion on this in "Section 17.23 Anisotropic Refinement Models" (around P166).

srraju

Hi John, Thanks. I found it.