[Pw_forum] dvscf values in reciprocal or direct space

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Mon May 2 11:14:12 CEST 2016


Dear Vahid,
they are written in direct space, in the basis of the pattern (unless you use 
the dvscf_star input variables, which allow you to specify patterns or 
Cartesian basis). They are nevertheless complex numbers, at Gamma they can be 
chosen Real, but I'm not sure this is enforced.


On Sunday, 1 May 2016 21:48:04 CEST Vahid Askarpour wrote:
> Dear QE Users,
> 
> Does anyone know if the dvscf files put out by PHONON store values in direct
> space or reciprocal space?
> 
> Thank you,
> 
> Vahid
> 
> Vahid Askarpour
> Department of Physics and Atmospheric Science
> Dalhousie University
> Halifax, NS, Canada
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Dr. Lorenzo Paulatto
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