[Wien] can not generate structure with cif file

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Sep 22 10:21:00 CEST 2006


Seems to be a small "inconvenience".
After "uploading" you must click again on the left top to "structgen".
You should see then your cif file and can select it.

> Dear wien users:
> I want to use the cif file to generate the structure. However, after
> uploading the files, I clicked the "Use Selected Cif File" and none
> responded.
> The cif files were download form the crystal structure database. Maybe I can
> input by hand but I want to know what's the reason. (Maybe wien needs a
> specific format of cif file ?). The attach is some cif files to check.
> Thanks.
> 


                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------


More information about the Wien mailing list