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phonons calculation


Chronological Thread 
  • From: Bothina Hamad <b.hamad@ju.edu.jo>
  • To: forum@abinit.org
  • Subject: phonons calculation
  • Date: Sat, 28 Jan 2006 13:44:31 +0200
  • Priority: normal

Dear Abinit users,
I'm doing Phonon calculations for bulk Ir , the procedure
went OK and the DDBs
were successfully merged . However when using the anaddb utility, I got the
following message:

symdm9 : ERROR -
Informations are missing in the DDB.
The dynamical matrix number 2 cannot be built,
since no blok with wavevector 0.000000E+00 8.333333E-02
8.333333E-02
has been found.
Action : add the required blok in the DDB, or modify your input file.

leave_new : decision taken to exit ...


But I'm still new in this field and I'm not sure how to figure out what's
wrong.

So does anyone know what may cause such an error?

P.S.: I'm using the binary abinis

Thanks
Bothina







  • phonons calculation, Bothina Hamad, 01/28/2006

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