[Wien] about cif2struct

georg at chem.au.dk georg at chem.au.dk
Wed Sep 8 10:12:04 CEST 2004


Probably you just have to remove the DOS carrige returns.
There is a unix command:
dos2unix <file>
for this

 BW Georg


Quoting WANG Yuan Xu <wang.yuanxu at nims.go.jp>:

> Dear wien£¬
> 
> I want to convert the cif file (from Materials Studio3.0) to wien2k struct
> file (use command "cif2struct case.cif"). The error information is below
> "Cell dimension(s) missing
> F F F"
> 
> Who can tell me why?
> The attached file is cif file	
> 
> Best
> 
> 
> WANG Yuan Xu
> National Institute for Materials Science
> Computational Materials Science Center
> Namiki 1-1, Tsukuba 305-0044, Japan
> Phone +81-29-8513354-8092; Fax +81-29-8531207
> wang.yuanxu at nims.go.jp
> 2004-09-08
> 


-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885




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