Dear all, do you know if there is any free software to overlay structures that have different origen, Thanks, Evelyn Moreno-Calvo ... This mail sent through...
Evelyn Moreno-Calvo
evemoreno@...
Mar 1, 2005 5:19 pm
1532
Hi, The mystery is now evenmore thick... I recorded a new pattern this night, without sample, and it is confirmed that the single-humped camel (with sample) ...
To all: My experience, in similar cases, is to set a number of thick lead foils around the slits and the detector, and to check the real path of the spurious...
Norberto Masciocchi
norberto.masciocchi@...
Mar 2, 2005 9:09 am
1534
... So, the experiment without sample was not useless – now having two humps you may double the moral compensation sum from Bruker :) I would also try to...
... In fact I measure during 24 hours... There is no queue (we have 2 other diffractometers). The problem is there since more than 1 year and we have made...
Dear all, Does anybody know about any software or any means of doing band calculations for semiconductor materials? I've heard about a program (the name...
Gerard, Garcia S
gsg2@...
Mar 2, 2005 5:41 pm
1538
For a freeware package for doing molecular orbital, density of states, crystal orbital overlap population, and band calculations, take a look at YAeHMOP (Yet...
J B Murowchick
murowchickj@...
Mar 2, 2005 8:21 pm
1539
Dear Colleagues, The DDM program package is updated at: http://krsk.info/icct/en/cont/persons/sol/ddm.html Some input-output bugs are fixed and one example is...
Dear SPDP Yahoo Groups, I am Research Asistant(PhD.Student) in Istanbul University,Istanbul,Turkey. I use Powder Diffractometer in Research Center in Istanbul...
... Fullprof is mainly a tool for : - structure factor extraction by the Le Bail method - structure refinement by the Rietveld method It has also some Monte...
Dear All, I am looking for method/s to analyse the surface of some of the materials I prepare. The surface of the support is uneven and I have crystalline...
Dear Crystallographers, I have a problem with the refinement of a structure in which both sharp and broadened peaks appear in the neutron powder diffraction...
marco.sommariva@...
Mar 4, 2005 3:30 pm
1544
... Dear Marco, The program DDM includes the model of selective broadening due structural faults, which is described in [L. A. Solovyov, J. Appl. Cryst. (2000)...
... It is possible with Fullprof. It should be possible with any multipattern Rietveld program, including GSAS. The trick is simple : Use two equal phases...
Hi, For the next IUCr Congress - Florence, why not to rent an apartment ? This seems much less expensive than hotels : http://www.florence-accommodation.net/ ...
Thanks a lot to all who answered to my question Best regards Marco...
marco.sommariva@...
Mar 6, 2005 10:19 am
1548
Dear everybody, I am just getting started in the Rietveld refinement method with fullprof, i have refined one sample of Al2W3O12, but the result is not...
Hello, This email message is a notification to let you know that a file has been uploaded to the Files area of the sdpd group. File : /3.dat Uploaded by...
sdpd@yahoogroups.com
Mar 7, 2005 11:39 am
1551
Hello, This email message is a notification to let you know that a file has been uploaded to the Files area of the sdpd group. File : /3.pcr Uploaded by...
sdpd@yahoogroups.com
Mar 7, 2005 11:40 am
1552
Hi, 300 zeolite tetragonal models were added into the PCOD : http://www.crystallography.net/pcod/ The pictures looking nice were captured : ...
Hi, I am a newbie working on SDPD for my Ph. D. research project. Currently I am encountering problems with both structure solution and refinements. The...
Dear all, Does anybody know where can i get a powder XRD pattern of lanthanum sulfate from? I can't find it in the CDS and i'm getting nuts 'cos i just could...
Gerard, Garcia S
gsg2@...
Mar 7, 2005 4:26 pm
1555
... Yes. The standard procedure says that you should not restrict yourself to only one indexing program. By using only DICVOL into DASH, you violate that rule...
... Your best fit is obtained at the expense of O atoms at wrong positions, huge preferred orientation, wrong occupancy numbers, etc. So, it is only possible...
Hi, I have a problem about solving structure samples with Fullprof.How can I find different samples with this issue and one more important topic, I have...
Hello, Thanks for welcome message for me.I am a chemist and I synthesize organic molecules and I determine their structure with different spectroscopic...
... See session 4 of the SDPD Internet Course : http://sdpd.univ-lemans.fr/DU-SDPD/semaine-4/sdpd-4.html All useful links are there. Best wishes, Armel...
... Fullprof/Winplotr are certainly not enough. The list of programs you may need is long. See this article (from EPDIC-7, Barcelona, 2000) giving a global...
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