[Wien] cif files

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Fri Jan 7 08:31:49 CET 2005


> I consistently get the error when trying to convert from the 
> *.cif files, even when using the example files included with
> Wien (like test3.cif):

Sorry, test3.cif was still in DOS format. use    dos2unix test3.cif
and then convert the cif file to our struct files.

Similarly, when you create a cif file under DOS (ICSD,...), you must 
transfer it in ASCI mode (not binary) to Unix (or convert it afterwards).


                                      P.Blaha
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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/
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