[Pw_forum] q-points unit

Stefano de Gironcoli degironc at sissa.it
Sun May 22 14:07:53 CEST 2011

if given explicitly they are in Cartesian coordinates in unit of 2pi/a
If chosen by the ldisp=.true. flag they are given as fractions of 
reciprocal lattice vectors

Stefano de Gironcoli - SISSA and DEMOCRITOS

On 05/22/2011 01:27 PM, Seyed Mojtaba Rezaei Sani wrote:
> Dear all
> I have a simple question. All q-points in phonon calculations are with
> respect to reciprocal primitive vectors, aren't they?
> Best regards
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