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[Chol-Jun Yu <yucj@ghi.rwth-aachen.de>]

Dear PMA,

thank you for your quick replying. 

> You should probably take the transpose of the matrix you have as input
> for rprim indeed Abinit is doing the following:
> 10*(1,0,0)
> 10*(0,1,0)
> 14*(1/2,1/2,1/2)
I used rprim as 1 0 0 0 1 0 1/2 1/2 1/2.

> If you input the transpose you'll probably get:
> 10*(1,0,1/2)
> 10*(0,1,1/2)
> 14*(0,0,1/2)
When I input rprim like 1 0 1/2 0 1 1/2 0 0 1/2, in GEO file the vectors are 
as follows: R1=(10, 0, 5), R2=(0, 10, 5), R3=(0,0,7). That is, results are 
failed.

Best regards,
-- 
Yu Chol Jun
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Natural Science Center(NSC)
Kim Il Sung University, Pyongyang, DPR Korea

Computational Materials Engineering(CME)
Center for Computational Engineering Science(CCES)
Institute of Mineral Engineering(GHI), RWTH Aachen
Mauerstrasse 5, D-52064 Aachen, Germany
Tel: ++49 241 80 94969
Fax: ++49 241 80 92271
e-mail: yucj@ghi.rwth-aachen.de
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