The ABINIT Users Mailing List ( CLOSED )

[mourad souadkia <somourad@gmail.com>]

Hi:
correct the input file   trf2_3.in  like this:
######
trf2_3.ddb.out
AlAs phonons on 4 4 4 mesh
10
trf2_1o_DS3_DDB
trf2_1o_DS4_DDB
trf2_1o_DS5_DDB
trf2_1o_DS6_DDB
trf2_1o_DS7_DDB
trf2_1o_DS8_DDB
trf2_1o_DS9_DDB
trf2_1o_DS10_DDB
trf2_1o_DS11_DDB
trf2_1o_DS12_DDB
#####

Souadkia Mourad
Physics Laboratory at Guelma
Faculty of Science and Engineering
University of Guelma
PO Box 401
Guelma 24000
Algeria

Tel: 213 (0) 37 20 81 16
Fax: 213 (0) 37 20 72 68
website:  http://www.univ-guelma.dz/recherche/labs/gpl/index.htm


2010/4/22, kondaiah samudrala <konda.physics@gmail.com>:
> Dear all,
>
>       I am new to run ABINIT,upto now i tried for phonon spectrum of various
> materials having FCC primitive cell using over RF2 tutorial,now  am trying
> to calculate phonon spectrum of BCC and SC structures.Here i am facing the
> problem of choosing *qpts and rprim*.initially i tried for TlBr,for this i
> git this error in trf2_5.out.
>
> I*nformations are missing in the DDB.
>   The dynamical matrix number    27 cannot be built,
>   since no blok with wavevector    5.000000E-01    5.000000E-01
> 2.500000E-01
>   has been found.
>   Action : add the required blok in the DDB, or modify your input file.
>
>  leave_new : decision taken to exit ...*
>
>
>     Here i attached my input and output  files.please give me suggition for
> solve my problem
>
> with regards,
> S.Appalakondaiah
>