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[Emmanuel Arras <emmanuel.arras@cea.fr>]

Thanks for the reference,
As I understand it, the comlpex phase it is simply the phase associated with the fourrier transform, that is the action of q.r in the primitive cell ( D(k)=D(-k)* ). So I would say it is useless since the information is already known via q and the atomic positions.

As for the absolute amplitude, it seems to be simply a renormalization factor taking into account the number of atoms, their mass and the frequency of the phonon.

Thank you again.



Takeshi NISHIMATSU a écrit :

20090818123748.33538.qmail@web4303.mail.ogk.yahoo.co.jp" type="cite">

Emmanuel,

You should read a basic textbook on solid state
physics and phonon. Par exemple, CHAPTER 3 of
"Theoretical Solid State Physics, Vol.1: Perfect
Lattices in Equilibrium" by William Jones and
Norman H. March.

  

when I compute phonons, for each mode, the atomique displacementvectors' coordinates are given
by complexe numbers (in anaddb.out,since my _PHVEC file is empty whatever eivec but
that'sanother problem). I get that the norm of these complexes are thecoordinates of the
atomique displacementvectors, but I wonder what is the meaning of the complexe phaseassociated.
  :
    

Hint: D(k) and D(-k)

Bonne chance,
  

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