[Pw_forum] zns phonon freq

[Axel Kohlmeyer]

On Mon, 23 Apr 2007, saman ghaderyan wrote:

SG> hi
SG> when i calculation phonon freq for zns i look at q-vector (0 0 0)
SG> acoustic freq  is in order 45 cm-1, i think it will be 0 cm-1?
SG> if that's right ,how can i changed it?

please search the mailing list archives for similar
discussions on this topics and make sure that your
calculation is consistent with the recommendations
given there. this kind of topic comes up quite oftern.

regards,
  axel.


SG> but for another q-vectors almost are correct .
SG> thanks
SG> saman ghaderyan
SG> buali sina university
SG> 

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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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