The ABINIT Users Mailing List ( CLOSED )

[Aldo Humberto Romero <ahromero@bethe.fis.puc.cl>]

Dear abinitioners

We are in the process of implementing a subroutine to calculate the
2-phonon density of states with a defined momentum transfer (q=q1+q2). 
But we are having a hard time to identify which routine is able to convert
any
given Q vector in the Brillouin Zone into the corresponding vector in the
irreducible Brillouin zone.

We would appreciate any advice in this matter.

-aldo.

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Dr. Aldo Humberto Romero            
CINVESTAV-QUERETARO
Libramiento Norponiente No 2000
Real de Juriquilla
76230 Queretaro, Qro, Mexico

email:  aromero@qro.cinvestav.mx
        aldo@ipicyt.edu.mx
Phone:  (52)-442-441 4909
Fax: (52) 442 441 4938