[Wien] about cif2struct

WANG YX wang.yuanxu at nims.go.jp
Wed Sep 8 10:42:32 CEST 2004


Dear Georg,

Thank you very much!

	

Best 
WANG YX
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


======= 2004-09-08 17:12:04 you wrote=======

>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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>Wien at zeus.theochem.tuwien.ac.at
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