The ABINIT Users Mailing List ( CLOSED )

[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.

Informations 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

Attachment: TlBr.tar.gz
Description: GNU Zip compressed data