Re: FullProf on Ubuntu 7.10

2007-12-04 Thread Jonathan Wright
Hi there, Since I just got the graphics card working again after a similar upgrade, I'm feeling brave enough to try without wine (running). $ file fp2k ELF 32-bit LSB executable, Intel 80386, version 1, statically linked, corrupted section header size ... which shows up on google/ubuntu for

Re: occupancy

2007-12-04 Thread Daniel Toebbens
Igor Djerdj schrieb: The following question is addressed more to FULLPROF users. I want to refine atomic occupancies of Fe-doped TiO2 for instance. Assuming that Ti is substituted with Fe at some sites, how can I provide that the sum of occupancies of Fe and Ti is 1 or 100%? There are two op

RE: occupancy

2007-12-04 Thread Matthew.Rowles
Can you set up equations in FullProf? Refine the occupancy of Ti and set occ(Fe) = 1 - occ(Ti). Cheers Matthew Matthew Rowles CSIRO Minerals Box 312 Clayton South, Victoria AUSTRALIA 3169 Ph: +61 3 9545 8892 Fax: +61 3 9562 8919 (site) Email: [EMAIL PROTECTED]

RE: occupancy

2007-12-04 Thread Yokochi, Alexandre
Igor, Back when I used to do this a lot, the easiest way was to just start the occupancy of the two sites at 1 (e.g., 95% + 5%) then give one site a given variable and the second the opposite sign for the same variable (e.g., 20.5 and -20.5). I've been out of the XRD game for a few years, so

occupancy

2007-12-04 Thread Igor Djerdj
Dear all, The following question is addressed more to FULLPROF users. I want to refine atomic occupancies of Fe-doped TiO2 for instance. Assuming that Ti is substituted with Fe at some sites, how can I provide that the sum of occupancies of Fe and Ti is 1 or 100%? Regards, Igor Djerdj