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[abinit-forum] dynamical matrix


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  • From: alexandra.carvalho@epfl.ch
  • To: "forum@abinit.org" <forum@abinit.org>
  • Subject: [abinit-forum] dynamical matrix
  • Date: Mon, 16 Feb 2009 12:04:38 +0100

Dear all,

I would like to know if it is possible to use ANADDB to output the interpolated
dynamical matrices in a grid of k-points.

Also, could you please tell me if the dynamical matrix in the DDB file uses the default database of isotope masses, or is given for unitary masses.

Thank you very much for your help.

Alexandra Carvalho
EPFL Lausanne, Switzerland



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