metty
Has anybody an idea for the following problem?
I tried to simulate a LaB6 structure with two different wavelengths in the LAM setting.
A copper K alpha 1 (1.54059 A) and an artificial wavelength of 8.30 A which is short below the maximum wavelength which can be used to observe the LaB6 unit cell in a powder experiment.
The outcome was that no pattern at all was shown, although all other parameters were fixed. With only one wavelength either the copper one or the 8.3 A wavelength the simulation worked.
By decreasing the 8.3 A to 5.0 A it seemed that more peaks appeared, although still not all of the LaB6 peaks were present. By further decreasing the artificial wavelength more and more peaks were present, so I guess Topas has problems to overlay the different Bragg positions for huge differences in the wavelength.
Does anybody know if there is a possibility to overcome this and to simulate hugh differences in the wavelength?
Best wishes,
Metty
alancoelho
Metty
The actual peaks generated is worked off the reference wavelength; the wavelength with the maximum la.
A better and computationally more efficient way of doing what you want is to create two identical structures and then give them different emission profiles. Note that lam can be str dependent; ie.
xdd...
str...
lam...
str...
lam...
Cheers
Alan
metty
Hello Alan,
thank you, that worked!
Best wishes,
Metty