GSAS Cnvfile

Hi, I'm wondering how to use GSAS CNVFILE to process a batch of files each time. The default is to enter one datafile name only. Thanks! Sent from my iPhone++ Please do NOT attach files to the whole list Send commands to eg: HELP as

Difference in Uiso parameters of ferrite(BCC) and austenite(FCC) at same te

Dear all, Recently I am doing the full profile neutron refinement of an dual phase steel with GSAS software. After I entered a specific temperature, for example, 640C, the software automatically produced a group of default data. When I finished other parameter refinement, I noticed that the U

Negative Biso

Dear All, I'm currently doing refinement for a Cs-Zr-Si-O phase using GSAS. While the refinement proceeded stably and the final cycle got converged, the displacement factors (Biso) were negative except for Cs. I tried with two sets of data collected on two diffractometers, and the situations are

Graphics

Hi, Everyone, We have some neutron diffraction data collected and stored in the VAX computer at Argonne, and we want to remotely get access to those data from our Windows-PC or Mac here. However, we were unable to display the diffraction patterns on our computers. Do we need an emulation program

GSAS

Hello everyone, I've just installed the GSAS on my Windows-NT PC, but when I tried to run "expedt", I got an error message saying "C:GSAS\PG-GSAS.pif, invalid program file name, please check you pif file". However, I did not find any *.pif files coming with the program. Did anyone encounter this

Ab Initio

Dear All, Could someone out there recommend me several papers regarding ab initio Rietveld refinement? I have a nanomaterial phase whose structure is completely unknown and I would like to solve the structure using power x-ray data. Can GSAS alone do this or will I need other softwares? Your sugg

zorite

Dear All, Does anyone know where I can find the structural info. (space group, atomic positions, etc.) for zorite- a sodium titanium aluminum silicate hydrate? Thanks, Hongwu Dept. of Chem. Eng. & Mater. Sci. UC-Davis Davis, CA 95616

Cs2SiO3

Dear All: Does anyone have structural information (space group, cell parameters, atomic positions) of Cs2SiO3? The thermodynamic data for this compound are available but I couldn't find any crystallographic info.. Thanks, Hongwu Xu