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

Elie M elie.moujaes at hotmail.co.uk
Wed May 9 22:00:31 CEST 2012


Thanks very much for your help guys
Elie

> Date: Wed, 9 May 2012 15:56:18 -0400
> From: avallabh at purdue.edu
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] quick question about the input file for phonon calculations at a point
> 
> Elie,
>  
> 
>          the coordinates should be in 2pi/alat units. You dont have to worry about ang or a.u, since the scf input will take care of this. 
> 
> Thanks
> Ajit
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