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[Marcel Mohr <marcel@physik.tu-berlin.de>]

Dear Aldo

have you edited the band2eps.freq file after the run of anadbb. You have 
to manually enter the correct frequencies at Gamma.
It is documented in the 2nd tutorial on response function.

Kind regards
Marcel

________________________________________________________________________
Marcel Mohr                     Institut für Festkörperphysik, TU Berlin
marcel@physik.tu-berlin.de      Sekr. PN 5-4
TEL: +49-30-314 24442           Hardenbergstr. 36
FAX: +49-30-314 27705           10623 Berlin


On Tue, 16 Jan 2007, Dr. Aldo Romero wrote:

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> Dear abinitiers,
>
> I am calculating the phonon dispersion relation of a polar system
> such as PbS and I have obtained good results for the Gamma frequencies,
> specially in the splitting TO-LO, Then, I did calculate a set of
> matrices that I did merge with mrgddb.
> After that, I did calculate several points by using anaddb to reproduce
> the dispersion relation, but to my surprise, the Gamma value came wrong,
> no splitting was present. I did used Abinit 4.6.5 (I did also used
> 5.2.4) and the input for the anaddb is attached.
>
> Is there any idea where this problem cam from? I really appreciate any
> advice!
>
> Thanks!
>
> - -aldo.
>
> - --
> - -------------------------------------------
> Prof. 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
>
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