home page at: http://tproffen.github.io/DiffuseCode/
Please pass this information on to any student/colleague who might be
interested
Reinhard Neder
--
Prof. Dr. Reinhard Neder
Kristallographie und Strukturphysik
Universitaet Erlangen
Staudtststr. 3; 91058 Erlangen
tel. +49-9131-8525191
fax +49
s. for
special positions, you can terminate once a previous coordinate is
reproduced.
Feel free to check out the generators and the generation of symmetry
matrices in my DISCUS code
(generate_mod.f90 and spcgr_apply.f90 at
https://github.com/tproffen/DiffuseCode
Hope this helps
Reinhard Neder
Am
not see that,
then the quantitative analysis is certainly misleading.
Best
Reinhard Neder
Am 03.03.21 um 13:34 schrieb François Goutenoire:
Dear Rietveld users,
I have some industrial compound presenting a strong hyper-Lorentzian
peak shape (eta=1.1 with HighScore). When we calculate
Dear Jan,
Unfortunately I do not know the internal of that file format. As a work
around I usually store the files as csv ASCII files.
Try convert, it does convert a lot of file formats.
http://www.ccp14.ac.uk/ccp/web-mirrors/convx/
Reinhard Neder
Am 12.03.20 um 17:15 schrieb rohli
h programs.
The special issue of Acta Crystallographica A72 (2016) has several
papers related to the Deby-Scattering-Equation, Paolo Scardi and Matteo
Leoni have written several papers on the sample related profile function.
Sincerely
Reinhard Neder
Am 06.06.19 um 12:39 schrieb Frank Girgsdies:
Dear fel
for single crystals and powder,
as well as the calculation of the pair distribution function PDF. We are
looking forward to seeing you in Erlangen.
Reinhard Neder and Thomas Proffen
++
Please do NOT attach files to the whole list <alan
ial
positions and some of the space group symmetry elements copy these atoms
onto themselves.
Thus the number of atoms listed will depend on the actual structure at hand.
Reinhard Neder
>
> In the Data Sheet Provided in any refined crystallographic data in the
> atomic coordinates section
approach. DISCUS can simulate powder pattern for disordered materials,
crystalline and nanocrystalline. For more info please visit:
http://www.lks.physik.uni-erlangen.de/DISCUS/index.html
Don't miss this exciting opportunity to become seriously disordered!
Best
Reinhard Neder
--
Prof. Dr. Reinhard
