The ABINIT Users Mailing List ( CLOSED )

["Aldo Humberto Romero" <aromero@qro.cinvestav.mx>]

Dear Baradeh

it will be useful if you provide more info... please include your space
group..
atom types and things like that.. it is hard to guess the structure
without knowing
all info.

Regards

-aldo.


-> hi
-> could you help me to find rpim for rhombohedral structure or monoclinic?
-> xred
->     0.2500  0.2500  0.2500     
->     0.7500  0.7500  0.7500     
->     0.0000  0.0000  0.0000    
->     0.5000  0.5000  0.5000
->     0.1982  0.3018  0.7500
->     0.8018  0.6982  0.2500
->     0.3018  0.7500  0.1982
->     0.6982  0.2500  0.8018
->     0.7500  0.1982  0.3018
->     0.2500  0.8018  0.6982
->
-> angdeg    60.798  60.798  60.798
->
-> best regards
->
->
->
->
->


-- 

Prof. Aldo Humberto Romero
CINVESTAV-Unidad Queretaro
Libramiento Norponiente 2000
CP 76230, Queretaro, QRO, Mexico
tel: 442 211 9909
fax: 442 211 9938

email: aromero@qro.cinvestav.mx
        aldorome@gmail.com
www: qro.cinvestav.mx/~aromero