[Wien] can not generate structure with cif file

[Andrew Scott]

.cif file appears OK.  

 

Try dos2unix xxx.cif on the command line and then cif2struct xxx.cif.
Sometimes 'hidden' carriage returns are included in the .cif which
'confuses' unix.

 

Hope this helps, Andrew.

 

********************************

Dr Andrew Scott

Academic Research Fellow

Institute for Materials Research

University of Leeds

Leeds LS2 9JT

United Kingdom

 

e-mail: a.j.scott at leeds.ac.uk

tel:    (44) (0)113 343 2573

fax:    (44) (0)113 343 2384

********************************

 

________________________________

From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Arin
Sent: 22 September 2006 08:46
To: A Mailing list for WIEN2k users
Subject: [Wien] can not generate structure with cif file

 

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. 

 

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