Re: Test of new Rietveld Archive

2004-02-24 Thread Favre-Nicolin Vincent
> And I just noticed that the archiver has become more advanced so that > email addresses are removed, even from the text. E.g. > [EMAIL PROTECTED] will not show up in the archive. That should > make the spam weary rest more easy. Well, the email does still appear in the page (see the end of t

Re: a question on space group

2004-03-22 Thread Favre-Nicolin Vincent
> Can anyboby tell me the difference between these two space groups? > P63m m c and P63m c m? Try the "Explore symmetry" tool @: http://cci.lbl.gov/cctbx/ You'll need to use P63/m m c and P63/m c m Without the / the symbol is wrong. -- Vincent Favre-Nicolin Université Joseph Fourier h

Re: Question on Rigid (Z-matrix) Usage

2004-04-30 Thread Favre-Nicolin Vincent
I'll try to give an (incomplete) answer. [snip] > site C4 num_posns 4 x 0.19000 y 0.88300 z 0.48260 occ > C 1 beq 1 [snip] > ' > Point_for_site(C1@ 0, @ 0, @ 0) > Rotate_about_axies (@ 1, @ 2, @ 3) > Translate (@ 0.19000, @ 0.88300, @ 0.48260) >

Re: Is there solution for this issue!

2004-04-30 Thread Favre-Nicolin Vincent
On vendredi 30 Avril 2004 17:15, Ling Fei Zhang wrote: > Dear all, > > Recently, one of my friends ask me, coz he is neutron stranger, and his > question is about one of his project in which they are studying the > nanometer-sized domain effect on Nickel ferrite, NiFe2O4, different from > conventio

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Favre-Nicolin Vincent
On mercredi 7 Juillet 2004 08:28, Dr. Holger Putz wrote: > > The algorithm is in the literature, so why prevent > > the implementation of it in software? > > It is true, the algorithm is in the literature; unfortunately, the exact > form of the potential and especially its parameters have not been

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Favre-Nicolin Vincent
On jeudi 8 Juillet 2004 10:37, Dr. Holger Putz wrote: > > (i) if the parameters are not just a few numbers derived from the > > database, > > > but are a significant part of the database (like a list of all > > interatomic distances in the database) > > (ii) if part of the study was directly paid b

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Favre-Nicolin Vincent
On jeudi 8 Juillet 2004 12:07, Alan Hewat wrote: > I am all in favour of a serious debate on this question, but now we have > one commercial company criticising another without hearing from the other > side. And responsible people advocating behaviour that may be illegal. I would really like to

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Favre-Nicolin Vincent
On jeudi 8 Juillet 2004 17:19, Alan Hewat wrote: > They are informed of the statements made by individuals on this mailing > list, but feel that on-going commercial negotiations are not a subject for > public debate. Senior CCDC management, including the people in charge of > the negotiations, are

Re: SPAM via our list

2005-05-18 Thread Favre-Nicolin Vincent
> actually we get some mails with German subjects to our list. These are > spams with links to sites with rassistic or neo-nazi content, generated by > a worm sober.p or so. > Beschreibung: W32.Sober.P alias Trojan.Ascetic.C > see http://www.heise.de/security/artikel/59580 > Would be great if anyon

Software Patents: vote at EU Parliament on July 5th and 6th

2005-06-28 Thread Favre-Nicolin Vincent
Dear all, The 2nd reading of the software patent directive at the European Parliament is IN ONE WEEK. Debate on the 5th, vote on the 6th of july. QUICK RESUME: During the 1st reading, 1 1/2 year ago the European Parliament amended the original text, to exclude "pure" software (i.e

Software Patents directive rejected by EU Parliament

2005-07-06 Thread Favre-Nicolin Vincent
Dear all, Today the software patent directive has been rejected by the EU Parliament, with a large majority. You can read more information about this on: http://www.ffii.org/ http://news.bbc.co.uk/2/low/technology/4655955.stm ... The last few days have seen a very strange evolution

Re: CIF format for powder work

2006-07-12 Thread Favre-Nicolin Vincent
Hi, On Tuesday 11 July 2006 19:13, Whitfield, Pamela wrote: > After spending over 2 days making up a single file, I'd like to hear some > other opinions on the practical aspects of CIF files for structures from > powder data. This is partly a moan from trying to get a 11000 line file to >

Re: Stephens/More Caglioti U V W parameters

2007-06-26 Thread Favre-Nicolin Vincent
On mardi 26 juin 2007, May, Frank wrote: > If the reason for their use is "historic and somewhat convenient, but their > usual application is based on no theory whatsoever," why does their use > continue? Because they fit the data in most cases. People who will still use them are those who do

Re: Fullprof under Linux

2007-07-05 Thread Favre-Nicolin Vincent
Hi, > I have a quick question about the Linux version of Fullprof which I am > hoping one of you will be able to help me with. > > I have the > 64 bit version of Ubuntu installed on my computer and just tried to > updated Fullprof to the latest version (using > Fullprof_suite_Feb07.tgz).

Re: Fullprof under Linux

2007-07-06 Thread Favre-Nicolin Vincent
On vendredi 6 juillet 2007, Joost van Duijn wrote: > Thanks for the pointers! I got the libXm.so.3 by installing the libmotif > package. At first I was still getting the same problem, however putting a > symbolic link into /usr/lib32/ to the correct file made it find the file, > but it is now givin

Re: Difference Fourier Map/GSAS

2007-11-22 Thread Favre-Nicolin Vincent
On jeudi 22 novembre 2007, Telepeni Irvin wrote: > I am trying to refine some NPD (CW) data with GSAS and with difference > Fourier map trying to find D2 positions (different D2 loadings during the > experiment). When I check on FOX if the positions from Fourier map are > correct, it shows me compl

Re: Difference Fourier Map/GSAS

2007-11-22 Thread Favre-Nicolin Vincent
On jeudi 22 novembre 2007, Telepeni Irvin wrote: > Even when I put D where GSAS thinks it should be (and where I hope it > should be as well), then it turns out that this site or those sites are > hardly occupied (and they are those to be supposingly where the scattering > is from). What happens

Re: X-ray data on organic compouds

2007-12-06 Thread Favre-Nicolin Vincent
On mercredi 5 décembre 2007, Francois Goutenoire wrote: > The link http://www.powderdata.info > /Give this : > Data and metadata was due to be available here from 1st April 2005 to > coincide with the paper publication of Florence et al., Journal of > Applied Crystallography (2005) Volume 38 Pages

Re: Question on Rietveld with x-ray

2008-04-03 Thread Favre-Nicolin Vincent
On jeudi 3 avril 2008, May, Frank wrote: > The mathematical description of "crystals" is valid for the bulk of the > volume. However, the description suffers from a physical "termination of > series" effect at the surface of the crystal. For very large crystals, the > amount of surface is much gr

Re: PDF refinement pros and cons

2008-06-13 Thread Favre-Nicolin Vincent
Hi, I've only begun to look at pdf, but it seems to me that pdf is only really interesting if you want to model non-crystalline material (or nano-crystalline), so that there is no long-range periodicity (limited size, defects on the borders, large strain, variation in composition,...)

Re: fullprof on suse 10.2? [SEC=UNCLASSIFIED]

2008-06-20 Thread Favre-Nicolin Vincent
Hi, > who has experience getting fullprof running on openSUSE linux 10.2? > > I get the following error: > > p0126n: /install/fullprof> uname -a > Linux p0126n 2.6.18.2-34-default #1 SMP Mon Nov 27 11:46:27 UTC 2006 i686 > i686 i386 GNU/Linux p0126n: /install/fullprof> ./fp_studio > ./fp_s

Re: calculating f' and f''

2008-09-11 Thread Favre-Nicolin Vincent
Hi, For KK transform, you can also try diffkk: http://cars9.uchicago.edu/dafs/diffkk/ Vincent -- Vincent Favre-Nicolin http://vincefn.net Université Joseph Fourier http://www.ujf-grenoble.fr CEA/ Institut Nanosciences & Cryogénie http://inac.cea.fr Obj