Dear All I would like to ask if I have the atomic position of heavy atoms and I would like to search for the others by using GFourier program provided by...
I will be out of the office starting 10/02/2006 and will not return until 10/19/2006. I will respond to your message when I return. [Non-text portions of this...
manju.rajeswaran@...
Oct 4, 2006 4:24 am
1954
Hi, Manual intervention in such calculations by Fullprof and GFourier is limited to the edition and little changes inside of the .pcr and .inp files. See a...
Hi all, I recently registered and downloaded Expo form the web. I would like to know how to prepare the *.pow file for the program. I tried converting the GSA ...
Hi, ... Depending on your .pow format, some command lines (to be inserted into the .exp file) will enable the correct lecture. Such commands are RANGE, FORMAT,...
Hi, Using the Intel Visual Fortran compiler version 9.1 and the OpenMP directives, a new GRINSP parallelized version is now proposed for dual core processors :...
Hi all, I want to know the method for calculation the crystallinity from the powder pattern and if there is a program for that. Can anybody help me. Best...
mrukiah
mrukiah@...
Oct 18, 2006 6:59 am
1959
Hello all Please send me the `D' values of the Material, Lithium Iron Phosphate (LiFePO4)? rajiv...
Hi , There are 2 cards in PDF2(2004) mwaffak ... From: "rajivetomy" <rajivetomy@...> To: <sdpd@yahoogroups.com> Sent: Thursday, October 19, 2006 8:44...
mrukiah
mrukiah@...
Oct 19, 2006 9:30 am
1961
New DICVOL06 Released A new updated binary command-line version for DOS/Windows of the Dicvol powder indexing software by D. Louer and A. Boultif and is now...
Dear All what indicate if in refinement the thermal vibration B of 1 atom was high (ex 29) or some time negative? Is there any paper in this subject and how we...
Dear Hamdane, to my (little!) knowledge a negative atomic thermal parameter can be given by surface roughness effect (in particular for Bragg-Brentano geometry...
Marco Sommariva
marco.sommariva@...
Oct 26, 2006 9:19 am
1964
Dear All, I am carying out Rietveld refinement of a deformed polycrystalline sample. WH plot shows anisotropic broadening of the profile. If I incorporate...
apu@...
Oct 27, 2006 11:38 am
1965
... draw the 3D-anisotropic strain field within the sample, does it carry any physical meaning! If I remember well, by definition, the Stephens approach is...
Dear all, I am doing strain-size analysis on some materials and I would like to deconvolve the instrument contribution using an iterative algorithm. I have...
i am a newer of GSAS, now i used neutron powder diffraction data to refine structure, but i got the Rp=6.70%, Rwp=9.41%, ¦Ö²=1.10, i submitted my paper, but...
Dear all, I am trying to refine the structure of a new iron phosphates using the programm Fullprof. the problem is that the thermal parameter Biso are very...
Hi Jie Peng, I suggest you to take a look at the paper by Brian Toby recently published in Powder Diffraction Brian H. Toby - "R factors in Rietveld analysis:...
Leopoldo Suescun
leopoldo@...
Nov 7, 2006 4:04 pm
1971
Hi, I beg you to let us know what is the radiation and geometry of data collection you are using for the refinement, because the answer could chage ...
Leopoldo Suescun
leopoldo@...
Nov 7, 2006 4:05 pm
1972
Dear Alaoui: There are several ways to look into this problem and you have to check all possibilities. First of all, I presume you are not refining the thermal...
Dear All, I have a diffractogramm recorded with l=0.7 A (SRS, Daresbury, station 6.2). The x-ray beam was focused to the CCD detector for SAXS measurements, ...
Dear all, Would you kindly help me set some restraints on the refinement of the occupationwhen I run both FULLPROF and SHELXL programs. I was recently trying...
I just tried to compare four different software: FindIt, Diamond, PowderCell and FullProf to calculate structure for alpha-alumina using ICSD #51687 file...
... Two possibilities to explain different structure factors: - R-3c can either use the rhomboedral or the hexagonal unit cell - maybe the default choice for...
Vincent Favre-Nicolin
vincefn@...
Nov 17, 2006 6:43 pm
1978
... FindIt, Diamond, ... alpha-alumina using ... 378, 288-293,Unit ... same geometry, ... space group ... intensity, and structure ... to get one). I can ... ...
Dear Jacco, Thank you very much for detailed and informative answer! I used the pattern from the link as a reference, and I got that neither Diamond, nor...
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