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[abinit-forum] phonons atomique displacements, complexe phase and amplitude


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  • From: Emmanuel Arras <emmanuel.arras@cea.fr>
  • To: forum@abinit.org
  • Subject: [abinit-forum] phonons atomique displacements, complexe phase and amplitude
  • Date: Fri, 31 Jul 2009 07:08:43 +0200

Hi,
 I'm sorry to ask this question since I remember seeing it on the forum, but I can't find it in the archives...

So the question is :
when I compute phonons, for each mode, the atomique displacement vectors' coordinates are given by complexe numbers (in anaddb.out, since my _PHVEC file is empty whatever eivec but that's another problem). I get that the norm of these complexes are the coordinates, but I wonder what is the meaning of the complexe phase associated.

Now another question : if I simply take the norm of these complexes and forget about the complexe phase, I wonder what is the meaning of the absolute amplitude of the displacement vectors (relative displacements within the unit cell I understand).

Thank you

Emmanuel

-- 
Emmanuel ARRAS
L_Sim (Laboratoire de Simulation Atomistique)
SP2M / INAC
CEA Grenoble
tel : 00 33 (0)4 387 86862


  • [abinit-forum] phonons atomique displacements, complexe phase and amplitude, Emmanuel Arras, 07/31/2009

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