[Pw_forum] quick question about the input file for phonon calculations at a point

[Elie M]

Dear all, I have a simple question about the coordinates of the point at which one would like to perform phonon calculations. It is just a quick check really. I am talking about the following input file for example:
Phonon
dispersion for monolayer grapheme at the gamma point

 &inputph

  tr2_ph=1.0d-14,

  prefix='phmonog',

  trans=.true., 


  recover=.true.,

  amass(1)=12.0107,  

  outdir='/tmp/',

  fildyn='mgraph.dynG',

  /

qx qy qz <------The point at which the phonon calculation is run.
In what coordinate system must (qx,qy,qz) be expressed? Is it written in units of 2Pi/alat? and if so, should alat be in Angstroms or a.u.?
Thanks
Elie Moujhes
University of NottinghamNG7 2RDUK 		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120509/5425bdb0/attachment.html>