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Re: [abinit-forum] a question about phonon dispersion on gamma point


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  • From: Konstantin Rushchanskii <konstantin.rushchanskii@cea.fr>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] a question about phonon dispersion on gamma point
  • Date: Mon, 02 Apr 2007 14:46:19 +0200

Dear Asila,

be careful, because in ABINIT the displacement vector is normalized on an electron mass in a. u., not on an unity. Look at the corresponding part in ANADDB code, where this vector is printed out.

best regards,
KR

asila wrote:
dear PMA,
It's a way, thank you very much!
best regards
asila

2007/4/2, Anglade Pierre-Matthieu <anglade@gmail.com>:

Hi,
I think displacements are given in atomic units. Anyway, just change
you lattice parrameter if you'd like to check this.
regards
PMA




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