fullprof program window refresh

Dear all, I'm using Fullprof. After starting the refinement, the "fullprof program" window opens showing the progress of the calculation. Unfortunately, if I change the window during the calculation (for example for checking e-mail) and then come back to fullprof, the "fullprof program" windo

slits in X’Pert PRO

Dear all, my laboratory recently inherited an old X’Pert PRO diffractometer. Previous owners labelled some of the slits as FDS (Fixed Divergence Slit) or FASS (Fixed Anti-Scatter Slit), but most of the slits have no label. Actually, I cannot see any evident difference between FDS, FASS and ot

"Full Physically Irreps" option in BasIreps

Dear all, I'm calculating the possible magnetic orderings using BasIreps (Fullprof). In particular I'm analyzing the possible orderings with k=(0,0,0.5). What concerns me is that when I select/deselect the "Full Physically Irreps" option the calculated magnetic structures are different. For

[SUSPECTED SPAM] Re: Misconduct

Dear all, I'm following this interesting discussion. It seems to me that sometimes there is an improper use of terminology, in particular when we talk about "profile refinement"; in reality, we all know that it is about "profile fitting". Or did I miss something? sorry for the pedantry. Albe

Re: Misconduct

Il 2024-01-16 16:21 Alan W Hewat ha scritto: And for those who worry about pedantry, "Rietveld Refinement" is just shorthand for the "Rietveld (method of) Refinement. It involves the refinement of the crystal structure, not Rietveld :-) Indeed! :-) Nonetheless, whatever the analysis, the profi

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rotron data and may be I put some errouneous input in the PCR file, but I cannot understand what. Thanks in advance for your helpful suggestions, best regards Alberto Martinelli

Re:

referred to as K is not present in the input PCR file. Thank you for your attention, best regards, Alberto At 18.02 24/11/2004 +0100, you wrote: >Alberto, > >Check you have the right polarisation correction. Synchrotron ~ 1, >laboratory typically 0.5 with no mono... > >HTH, &g

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Dear all, I'm refining a crystal structure with Pnma space group using Fullprof; since it appears strained I refined also the microstructural parameters using strain model=3. my questions are: 1) are negative values meaningful or only positive values must be considered? 2) what is the unit of measu

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Dear all, does anybody know a free software for plotting magnetic structures? Thanks in advance for help. Alberto

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es anybody knows how to generated the correct FILE.dis with the new version of Fullprof? Thanks in advance for your kind attention and suggestions! Alberto * Alberto Martinelli Scientist researcher Lab

magnetic structure defined by 2 or more irreps

Dear all, I am looking for cases in the literature in which at least 2 different irreducible representations are necessary to describe the magnetic structure at the same atomic site. Specifically, I mean that the atomic site must be the same in the magnetic cell; that is not the case where t