Profex version 3.13, which was released just recently, has a substantially improved CIF import. It still needs manual tweaking if the CIF files are incomplete or use non-standard atomic settings, but the STR files can be verified easily and the error messages are a bit more meaningful now.

I am also working on further improvements for the next release.

Regards,

Nic (author of Profex)

Sometimes .cif files miss information that Profex requires, like Wyckoff positions. If you attach an example of a .cif file that you converted, I -or other people on research gate- can help you find the problem and solve it.

Hello,

I'm facing the same problem as Mahesha M G. I can provide a converted CIF file which has the Wyckhoff positions, but still doesn't work in Profex.

I also tried to convert it with PowderCell into a STR file but that doesn't work either. However, the cif file is working perfectly within fullprof

Best regards

Christian

Quick edit: Just got the file working and it seems to be a really stupid error. When converting a cif file the "PHASE=" tag is empty. I just had an empty space after the "=" followed by the phase, however, avoid any empty spaces behind the PHASE tag and set a phase name there.

Profex version 3.13, which was released just recently, has a substantially improved CIF import. It still needs manual tweaking if the CIF files are incomplete or use non-standard atomic settings, but the STR files can be verified easily and the error messages are a bit more meaningful now.

I am also working on further improvements for the next release.

Regards,

Nic (author of Profex)

I am using Profex 3.14.2. I am trying to import FeO from https://raw.githubusercontent.com/cryos/avogadro/master/crystals/oxides/FeO-Wustite.cif .

It is working now.

Regards.